Basic Information

Faculty

• Faculty of Engineering

Professional Memberships

• The Iron and Steel Institute of Japan
• Materials Research Society
• The Ceramics Society of Japan
• The Japan Institute of Metals
• World Academy of Ceramics
• The American Ceramics Society

Academic Degree

• Master of Engineering(Kyoto University)
• Doctor of Engineering(Osaka University)

Language of Instruction

• English

ID,URL

• J-Global ID

  200901055361573533

• External link

  http://cms.mtl.kyoto-u.ac.jp/

researchmap URL

• https://researchmap.jp/Tanaka_Isao

Research

Research Interests

• fundamental materials science
• Computational Materials Science
• materials informatics

Research Areas

• Nanotechnology/Materials, Inorganic materials
• Nanotechnology/Materials, Metallic materials

Papers

• Atomic structures and energetics of (formula presented) solid solution and hydrides

  Kazuyoshi Tatsumi; Isao Tanaka; Haruyuki Inui; Katsushi Tanaka; Masaharu Yamaguchi; Hirohiko Adachi

  Physical Review B - Condensed Matter and Materials Physics, 2001

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• Separation of the effects of charge transfer, covalency and electron correlations on the multiplet structure of ruby based on first-principles cluster calculations

  Kazuyoshi Ogasawara; Masateru Yamamoto; Takugo Ishii; Hidenori Ida; Hirohiko Adachi; Isao Tanaka

  Advances in Quantum Chemistry, 2000

  
• Formation energy of Cr/Al vacancies in spinel MgCr2O4 and MgAl2O4 by first-principles calculations

  Hiroki Moriwake; Isao Tanaka; Fumiyasu Oba; Yukinori Koyama; Hirohiko Adachi

  Physical Review B - Condensed Matter and Materials Physics, 15 Apr. 2002

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• Materials Transactions: Preface

  Yuichi Ikuhara; Isao Tanaka

  Materials Transactions, Jul. 2002

  
• Atomic structures and energetics of LaNi5-H solid solution and hydrides

  K. Tatsumi; I. Tanaka; H. Inui; K. Tanaka; M. Yamaguchi; H. Adachi

  Physical Review B - Condensed Matter and Materials Physics, 01 Nov. 2001

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• Local chemical bonding around rare-earth ions in α- and β-Si3N4

  Tetsuo Nakayasu; Tetsuo Yamada; Isao Tanaka; Hirohiko Adachi; Seishi Goto

  Journal of the American Ceramic Society, 1997

  
• Recommender Systems for Materials Discovery

  Atsuto Seko; Hiroyuki Hayashi; Hisashi Kashima; Isao Tanaka

  Lecture Notes in Physics, 2020

  
• Coordination polymers as precursors of simple and complex oxides

  Hiroyuki Hayashi; Yuta Morimitsu; Ikko Tatsumi; Isao Tanaka

  INTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY, Aug. 2022

  
• Implementation strategies in phonopy and phono3py

  Atsushi Togo; Laurent Chaput; Terumasa Tadano; Isao Tanaka

  Journal of Physics: Condensed Matter, 04 Sep. 2023

  
• Proposing the Concept of Plaston and Strategy to Manage Both High Strength and Large Ductility in Advanced Structural Materials, on the Basis of Unique Mechanical Properties of Bulk Nanostructured Metals

  Nobuhiro Tsuji; Shigenobu Ogata; Haruyuki Inui; Isao Tanaka; Kyosuke Kishida

  The Plaston Concept: Plastic Deformation in Structural Materials, 01 Jan. 2022

  
• Complex Point Defect Structure in Cubic Boron Nitride

  Ishikawa Ryo; Shibata Naoya; Ikuhara Yuichi; Oba Fumiyasu; Findlay Scott D.; Taniguchi Takashi; Tanaka Isao

  Materia Japan, 2016

  
• Si系セラミックスの電子線エネルギー損失分光吸収端近傍微細構造(ELNES)の理論計算

  吉矢真人; 田中功; 足立裕彦

  DV-Xα研究協会会報, Apr. 2015, Peer-reviewed

  
• Intergranular Glassy Film (IGF) in Si3N4-SiO2 Ceramics: Computational Studies on the Electronic and Atomic Level

  M. Yoshiya; I. Tanaka; H. Adachi

  Jun. 2010, Invited

  
• Improvement of Materials Properties of Thermoelectric Materials by Atomic Scale Modification

  M. Yoshiya; I. Tanaka; H. Adachi

  Jan. 2010, Invited

  
• Microscopic Roles of Intergranular Glassy Film in High-Purity Si3N4

  M. Yoshiya; I. Tanaka; H. Adachi; R. M. Cannon

  Jun. 2008, Invited

  
• 無機結晶イオン伝導体の量子材料設計

  小山 幸典; 桑原 彰秀; 田中 功

  電気化学および工業物理化学 : denki kagaku, 05 May 2007

  
• Atomic structure of β-SiAlON by Al-K XANES

  K. Tatsumi; T. Mizoguchi; S. Yoshioka; M. Kunisu; M. Yoshiya; I. Tanaka; H. Adachi

  UVSOR activity report, Apr. 2002

  
• Mg-K edge absorption study of MgO-ZnO solid solutions

  T. Mizoguchi; K. Tatsumi; M. Nakano; F. Oba; M. Yoshiya; H. Adachi; I. Tanaka; T. Yoshida; H. Yoshida; S.-D. Mo; W.-Y. Ching

  UVSOR activity report, Apr. 2001

  
• Zn-L2,3 edge absorption study on six-fold coordinated Zn in MgO

  I. Tanaka; T. Mizoguchi; K. Tatsumi; M. Nakano; F. Oba; M. Yoshiya; H. Adachi; T. Yoshida; H. Yoshida

  UVSOR activity report, Apr. 2001

  
• Analysis of Zn in MgO-ZnO solid solution using XANES and the first-principles calculations

  T. Mizoguchi; M. Yoshiya; I. Tanaka; H. Adachi; S-Di Mo; W. Y. Ching; T. Yoshida; H. Yoshida

  Proceedings of the 7th International Symposium on Advanced Physical Fields, Apr. 2001, Peer-reviewed

  
• Local structural analysis around Zn in MgO-ZnO solid solution using X-ray absorption spectroscopy

  T. Mizoguchi; M. Yoshiya; I. Tanaka; H. Adachi; S-D. Mo; W. Y. Ching; T. Yoshida; H. Yoshida

  Proceedings of 4th Pacific Rim International Conference on Advanced Materials and Processing, Apr. 2001, Peer-reviewed

  
• 新しいスピネル型窒化物の材料設計

  田中 功; 大場 文康; 吉矢 真人; W.Y. Ching

  マテリアル インテグレーション, Apr. 2001, Peer-reviewed

  
• Migration energy of lithium ions by first principles calculations

  Y Yamada; Y Koyama; Tanaka, I; Nishitani, SR; H Adachi; Y Kowada

  PRICM 4: FORTH PACIFIC RIM INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS AND PROCESSING, VOLS I AND II, 2001, Peer-reviewed

  
• Interaction of Co impurities and native defects in ZnO

  Oba F; Yamamoto T; Ikuhara Y; Tanaka I; Adachi H; Hanada S; Zhong Z; Nam SW; Wright RN

  Pricm 4: Forth Pacific Rim International Conference on Advanced Materials and Processing, Vols I and Ii, 2001, Peer-reviewed

  
• First principles calculations of oxygen-vacancies in oxides

  Tanaka I; Oba F; Tatsumi K; Nakano M; Adachi H; Hanada S; Zhong Z; Nam SW; Wright RN

  Pricm 4: Forth Pacific Rim International Conference on Advanced Materials and Processing, Vols I and Ii, 2001, Peer-reviewed

  
• 3d遷移金属ホウ化物におけるELNESのスペクトル形状の系統的変化

  巽一厳; 溝口照康; 吉矢真人; 田中功; 足立裕彦

  DV-Xα研究協会会報, Dec. 2000

  
• ELNESを用いたMgO中Si近傍の局所状態解析

  溝口照康; 吉矢真人; 田中功; 足立裕彦

  DV-Xα研究協会会報, Dec. 2000

  
• 電子顕微鏡を用いた電子分光の理論計算による解釈

  田中 功; 溝口 照康; 吉矢 真人; 岩田 貴普; 小笠原 一禎; 足立 裕彦

  電子顕微鏡, Apr. 2000, Peer-reviewed

  
• Correlation between local atomic coordination and interface energy in intergranular glassy film of Si3N4 ceramics

  M. Yoshiya; K. Tatsumi; I. Tanaka; H. Adachi

  Proceedings of 10th Iketani Conference on Materials Research Toward The 21st Century, Apr. 2000, Peer-reviewed

  
• Systematic change of the ELNES spectral shapes from 3d transition metal-borides

  K. Tatsumi; T. Mizoguchi; M. Yoshiya; I. Tanaka; H. Adachi

  Bull. Soc. DV-Xα, Apr. 2000, Peer-reviewed

  
• Local structural analysis around Si in MgO by ELNES

  T. Mizoguchi; M. Yoshiya; I. Tanaka; H. Adachi

  Bull. Soc. DV-Xα, Apr. 2000, Peer-reviewed

  
• Electronic structure calculation of symmetric tilt boundaries in ZnO

  Oba F; Nishitani SR; Adachi H; Tanaka I; Sakuma T; Sheppard LM; Ikuhara Y

  2000, Peer-reviewed

  
• 金属酸化物の酸素K励起端ELNESのピークシフト解析

  中野雅信; 溝口照康; 吉矢真人; 田中功; 足立裕彦

  DV-Xα研究協会会報, Dec. 1999

  
• MgO中に固溶したZnの化学結合状態への影響

  李江; 溝口照康; 吉矢真人; 田中功; 足立裕彦

  DV-Xα研究協会会報, Dec. 1999

  
• ６配位Ti4+イオンによるTi-L2,3 edge ELNESの理論計算

  岩田貴普; 吉矢真人; 小笠原一禎; 田中功; 足立裕彦

  DV-Xα研究協会会報, Dec. 1999

  
• 遷移金属中ボロン(B)のK殻ELNES理論計算

  巽一厳; 溝口照康; 吉矢真人; 田中功; 足立裕彦

  DV-Xα研究協会会報, Dec. 1999

  
• The influence of doping Zn in MgO

  J. Li; T. Mizoguchi; M. Yoshiya; I. Tanaka; H. Adachi

  Bull. Soc. DV-Xα, Apr. 1999, Peer-reviewed

  
• Theoretical calculation of Ti-L2,3 edge ELNES of TiO2 (rutile)

  T. Iwata; M. Yoshiya; K. Ogasawara; I. Tanaka; H. Adachi

  Bull. Soc. DV-Xα, Apr. 1999, Peer-reviewed

  
• Theoretical calculation of B-K edge ELNES from boron in transition metals

  K. Tatsumi; T. Mizoguchi; M. Yoshiya; I. Tanaka; H. Adachi

  Bull. Soc. DV-Xα, Apr. 1999, Peer-reviewed

  
• The role of Co ions on the appearance of non-linear I-V characteristics of ZnO-based ceramics

  Yodogawa M; Ikuhara Y; Oba F; Tanaka I; Mizutani N; Shinozaki K; Kamehara N; Kimura T

  1999, Peer-reviewed

  
• Characterization of Grain Boundaries by Scanning Transmission Electron Microscopy

  KANEKO Kenji; TSUREKAWA Sadahiro; TANAKA Isao

  まてりあ : 日本金属学会会報, 20 Nov. 1998

  
• Bonding sructure of impurity Si in MgO

  T. Mizoguchi; M. Yoshiya; I. Tanaka; H. Adachi

  Proceedings of Korea-Japan DV-Xα Joint Symposium ('98), Apr. 1998, Peer-reviewed

  
• Analytical investigation of random grain boundaries of Zr-doped sintered α-Al2O3 by transmission electron microscopy and scanning transmission electron microscopy

  Kaneko, K.; Gemming, T.; Tanaka, I.; Müllejans, H.

  Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties, 1998, Peer-reviewed

  
• α-quartzのX線吸収スペクトルの理論計算

  吉矢真人; 田中功; 足立裕彦

  DV-Xα研究協会会報, Apr. 1995, Peer-reviewed

  
• The Interaction between Vacancy and 3d-Transition Elements in Dilute Gold Alloys

  Tanaka Isao; Nasu Saburo; Fujita F. Eiichi

  J Phys Soc Jpn, 15 Feb. 1988

  
• Energetical role of modeled intergranular glassy film in Si3N4-SiO2 ceramics

  M. Yoshiya; I. Tanaka; H. Adachi

  Acta Mater., 01 Apr. 2000, Peer-reviewed

  
• Effect of solute atoms on the chemical bonding of Fe3C (cementite)

  Masataka Mizuno; Isao Tanaka; Hirohiko Adachi

  Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties, 1997, Peer-reviewed

  
• 第一原理計算による格子振動と熱的性質の評価

  田中 功; 東後 篤史

  熱測定, Jul. 2022, Peer-reviewed

  
• Finding well-optimized special quasirandom structures with decision diagram

  Kohei Shinohara; Atsuto Seko; Takashi Horiyama; Isao Tanaka

  PHYSICAL REVIEW MATERIALS, Nov. 2021, Peer-reviewed

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• 日本金属学会関西支部の活動

  田中 功; 八尾 秀樹

  まてりあ, Oct. 2021, Peer-reviewed

  
• Combination of recommender system and single-particle diagnosis for accelerated discovery of novel nitrides

  Yukinori Koyama; Atsuto Seko; Isao Tanaka; Shiro Funahashi; Naoto Hirosaki

  JOURNAL OF CHEMICAL PHYSICS, Jun. 2021, Peer-reviewed

  
• LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering measurements and first principles calculations

  Atsushi Togo; Hiroyuki Hayashi; Terumasa Tadano; Satoshi Tsutsui; Isao Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, Sep. 2022

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• Synthesis-condition recommender system discovers novel inorganic oxides

  Hiroyuki Hayashi; Keita Kouzai; Yuta Morimitsu; Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Feb. 2022

  
• Oxide-ion diffusion in brownmillerite-type Ca2AlMnO5+δ from first-principles calculations

  Ushio Matsumoto; Akihide Kuwabara; Craig A. J. Fisher; Hiroki Moriwake; Isao Tanaka

  Physical Chemistry Chemical Physics, 2022

  
• Cooperative Oxide-Ion Transport in Pyrochlore Y2Ti2O7: A First-Principles Molecular Dynamics Study

  Ushio Matsumoto; Takafumi Ogawa; Craig A. J. Fisher; Satoshi Kitaoka; Isao Tanaka

  The Journal of Physical Chemistry C, 23 Sep. 2021

  
• Corrigendum to ‘Strategy for Managing Both High Strength and Large Ductility in Structural Materials - sequential nucleation of different deformation modes based on a concept of plaston’ [Scripta Materialia 181 (2020) 35-42/ SMM 13102]

  Nobuhiro Tsuji; Shigenobu Ogata; Haruyuki Inui; Isao Tanaka; Kyosuke Kishida; Si Gao; Wenqi Mao; Yu Bai; Ruixiao Zheng; Jun-Ping Du

  Scripta Materialia, Apr. 2021

  
• インフォマティクス入門(8)第一原理計算データを活用した材料探索

  田中 功

  ふぇらむ = Bulletin of the Iron and Steel Institute of Japan : (一社)日本鉄鋼協会会報, 2021, Peer-reviewed

  
• Application of machine learning potentials to predict grain boundary properties in fcc elemental metals

  Takayuki Nishiyama; Atsuto Seko; Isao Tanaka

  PHYSICAL REVIEW MATERIALS, Dec. 2020, Peer-reviewed

  
• First-Principles Study on the Stability of Weberite-Type, Pyrochlore, and Defect-Fluorite Structures of A23+B24+O7 (A = Lu3+–La3+, B = Zr4+, Hf4+, Sn4+, and Ti4+)

  Ushio Matsumoto; Takafumi Ogawa; Satoshi Kitaoka; Hiroki Moriwake; Isao Tanaka

  The Journal of Physical Chemistry C, 17 Sep. 2020

  
• Enumeration of nonequivalent substitutional structures using advanced data structure of binary decision diagram

  Kohei Shinohara; Atsuto Seko; Takashi Horiyama; Masakazu Ishihata; Junya Honda; Isao Tanaka

  JOURNAL OF CHEMICAL PHYSICS, Sep. 2020, Peer-reviewed

  
• Data-Driven Materials Discovery from Large Chemistry Spaces

  Isao Tanaka

  MATTER, Aug. 2020, Peer-reviewed

  
• Phonon structure of titanium under shear deformation along {10(1)over-bar2} twinning mode

  Atsushi Togo; Yuta Inoue; Isao Tanaka

  PHYSICAL REVIEW B, Jul. 2020, Peer-reviewed

  
• Fast material search of lithium ion conducting oxides using a recommender system

  Kota Suzuki; Kosei Ohura; Atsuto Seko; Yudai Iwamizu; Guowei Zhao; Masaaki Hirayama; Isao Tanaka; Ryoji Kanno

  JOURNAL OF MATERIALS CHEMISTRY A, Jun. 2020, Peer-reviewed

  
• マテリアルズインフォマティクスによる新材料の開拓

  田中 功; 世古 敦人; 林 博之; 東後 篤史

  現代化学 = Chemistry today, May 2020, Peer-reviewed

  
• Strategy for managing both high strength and large ductility in structural materials-sequential nucleation of different deformation modes based on a concept of plaston

  Nobuhiro Tsuji; Shigenobu Ogata; Haruyuki Inui; Isao Tanaka; Kyosuke Kishida; Si Gao; Wenqi Mao; Yu Bai; Ruixiao Zheng; Jun-Ping Du

  SCRIPTA MATERIALIA, May 2020, Peer-reviewed

  
• ゼリー中に含まれていた増粘剤カラギーナンによるアナフィラキシーの1例 : 今後留意すべき増粘剤アレルギー (特集 蕁麻疹・痒疹)

  原田 晋; 田中 功; 千貫 祐子; 荻田 誠司

  皮膚科の臨床, Dec. 2019

  
• Recommender System of Successful Processing Conditions for New Compounds Based on a Parallel Experimental Data Set

  Hiroyuki Hayashi; Katsuyuki Hayashi; Keita Kouzai; Atsuto Seko; Isao Tanaka

  CHEMISTRY OF MATERIALS, Dec. 2019, Peer-reviewed

  
• Finite-displacement computation of the electron-phonon interaction within the projector augmented-wave method

  L. Chaput; Atsushi Togo; Isao Tanaka

  PHYSICAL REVIEW B, Nov. 2019, Peer-reviewed

  
• Impact of interstitial C on phase stability and stacking-fault energy of the CrMnFeCoNi high-entropy alloy

  Yuji Ikeda; Isao Tanaka; Joerg Neugebauer; Fritz Koermann

  PHYSICAL REVIEW MATERIALS, Nov. 2019, Peer-reviewed

  
• Prediction of dielectric constants using a combination of first principles calculations and machine learning

  Yuji Umeda; Hiroyuki Hayashi; Hiroki Moriwake; Isao Tanaka

  JAPANESE JOURNAL OF APPLIED PHYSICS, Nov. 2019, Peer-reviewed

  
• Equilibrium hydrogen pressures in the V-H system from first principles

  Noriko Otani; Akihide Kuwabara; Takafumi Ogawa; Craig A. J. Fisher; Isao Tanaka; Etsuo Akiba

  International Journal of Hydrogen Energy, Nov. 2019, Peer-reviewed

  
• A-site cation size effect on oxygen octahedral rotations in acentric Ruddlesden-Popper alkali rare-earth titanates

  Hirofumi Akamatsu; Koji Fujita; Toshihiro Kuge; Arnab Sen Gupta; James M. Rondinelli; Isao Tanaka; Katsuhisa Tanaka; Venkatraman Gopalan

  PHYSICAL REVIEW MATERIALS, Jun. 2019, Peer-reviewed

  
• Group-theoretical high-order rotational invariants for structural representations: Application to linearized machine learning interatomic potential

  Atsuto Seko; Atsushi Togo; Isao Tanaka

  PHYSICAL REVIEW B, Jun. 2019, Peer-reviewed

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• Vibrational Effects in X-ray Absorption Spectra of Two-Dimensional Layered Materials

  Weine Olovsson; Teruyasu Mizoguchi; Martin Magnuson; Stefan Kontur; Olle Hellman; Isao Tanaka; Claudia Draxl

  Journal of Physical Chemistry C, Apr. 2019, Peer-reviewed

  
• Solution effect on improved structural compatibility of NiTi-based alloys by systematic first-principles calculations

  Joohwi Lee; Yuji Ikeda; Isao Tanaka

  JOURNAL OF APPLIED PHYSICS, Feb. 2019, Peer-reviewed

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• TSFZ法による全固体リチウムイオン電池材料バルク単結晶の育成

  田中 功

  日本結晶成長学会誌, 2019

  
• TSFZ法による全固体リチウムイオン電池材料バルク単結晶の育成 (特集 次世代二次電池の創成に向けた結晶成長からのアプローチ)

  田中 功

  日本結晶成長学会誌 Journal of the Japanese Association for Crystal Growth, 2019

  
• Temperature-dependent phonon spectra of magnetic random solid solutions

  Yuji Ikeda; Fritz Körmann; Biswanath Dutta; Abel Carreras; Atsuto Seko; Jörg Neugebauer; Isao Tanaka

  npj Computational Materials, 01 Dec. 2018

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• Double thermoelectric power factor of a 2D electron system

  Yuqiao Zhang; Bin Feng; Hiroyuki Hayashi; Cheng-Ping Chang; Yu-Miin Sheu; Isao Tanaka; Yuichi Ikuhara; Hiromichi Ohta

  Nature Communications, 01 Dec. 2018

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• Effects of composition, crystal structure, and surface orientation on band alignment of divalent metal oxides: A first-principles study

  Yoyo Hinuma; Yu Kumagai; Isao Tanaka; Fumiyasu Oba

  PHYSICAL REVIEW MATERIALS, Dec. 2018, Peer-reviewed

  
• Bulk nanocrystalline gamma magnesium hydride with low dehydrogenation temperature stabilized by plastic straining via high-pressure torsion

  Kaveh Edalati; Kouki Kitabayashi; Yuji Ikeda; Junko Matsuda; Hai-Wen Li; Isao Tanaka; Etsuo Akiba; Zenji Horita

  SCRIPTA MATERIALIA, Dec. 2018, Peer-reviewed

  
• Synthesis, crystal structure, and ionic conductivity of hydride ion- conducting Ln2LiHO3 ( Ln 1/4 La, Pr, Nd) oxyhydrides

  Yuki Iwasaki; Naoki Matsui; Kota Suzuki; Yoyo Hinuma; Masao Yonemura; Genki Kobayashi; Masaaki Hirayama; Isao Tanaka; Ryoji Kanno

  JOURNAL OF MATERIALS CHEMISTRY A, Dec. 2018, Peer-reviewed

  
• High Rate Performance of Dual-Substituted LiFePO4 Based on Controlling Metastable Intermediate Phase

  Takahiro Yoshinari; Kentaro Yamamoto; Motoaki Nishijima; Katsutoshi Fukuda; Akihide Kuwabara; Isao Tanaka; Kazuhiko Maeda; Hiroshi Kageyama; Yuki Orikasa; Yoshiharu Uchimoto

  ACS APPLIED ENERGY MATERIALS, Dec. 2018, Peer-reviewed

  
• Materials informatics for dielectric materials

  Yuji Umeda; Hiroyuki Hayashi; Hiroki Moriwake; Isao Tanaka

  JAPANESE JOURNAL OF APPLIED PHYSICS, Nov. 2018, Peer-reviewed

  
• Data-centric science for materials innovation

  Isao Tanaka; Krishna Rajan; Christopher Wolverton

  MRS BULLETIN, Sep. 2018, Peer-reviewed

  
• Impact of Chemical Fluctuations on Stacking Fault Energies of CrCoNi and CrMnFeCoNi High Entropy Alloys from First Principles

  Yuji Ikeda; Fritz Koermann; Isao Tanaka; Joerg Neugebauer

  ENTROPY, Sep. 2018, Peer-reviewed

  
• First-principles study in an inter-granular glassy film model of silicon nitride

  Wai-Yim Ching; Masato Yoshiya; Puja Adhikari; Paul Rulis; Yuichi Ikuhara; Isao Tanaka

  Journal of the American Ceramic Society, 01 Jul. 2018

  
• Compositional descriptor-based recommender system for the materials discovery

  Atsuto Seko; Hiroyuki Hayashi; Isao Tanaka

  Journal of Chemical Physics, 28 Jun. 2018

  
• Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power

  Akira Takahashi; Atsuto Seko; Isao Tanaka

  Journal of Chemical Physics, 21 Jun. 2018

  
• Lattice thermal conductivities of two SiO2 polymorphs by first-principles calculations and the phonon Boltzmann transport equation

  Keiyu Mizokami; Atsushi Togo; Isao Tanaka

  Physical Review B, 15 Jun. 2018

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• Design and synthesis of a magnesium alloy for room temperature hydrogen storage

  Kaveh Edalati; Ryoko Uehiro; Yuji Ikeda; Hai-Wen Li; Hoda Emami; Yaroslav Filinchuk; Makoto Arita; Xavier Sauvage; Isao Tanaka; Etsuo Akiba; Zenji Horita

  Acta Materialia, 01 May 2018

  
• アルコキシおよびアミノシリルボランの合成と反応

  田中 功

  法政大学大学院紀要. 理工学・工学研究科編, Mar. 2018

  
• Descriptors for machine learning of materials data

  Atsuto Seko; Atsushi Togo; Isao Tanaka

  Nanoinformatics, 15 Jan. 2018, Peer-reviewed

  
• Matrix- and tensor-based recommender systems for the discovery of currently unknown inorganic compounds

  Atsuto Seko; Hiroyuki Hayashi; Hisashi Kashima; Isao Tanaka

  PHYSICAL REVIEW MATERIALS, Jan. 2018

  
• 部分分子置換したκ-(ET)₂Cu₂(CN)₃における高圧下電気抵抗率

  芦沢 方大; 米山 直樹; 長尾 雅則; 田中 功; 佐々木 孝彦

  日本物理学会講演概要集, 2018

  
• (Ce,Pr)OBiS₂単結晶の育成とその超伝導特性

  長尾 雅則; 三浦 章; 花田 祐二; 丸山 祐樹; 綿打 敏司; 高野 義彦; 田中 功

  日本物理学会講演概要集, 2018

  
• はじめに

  田中 功

  日本物理学会講演概要集, 2018, Peer-reviewed

  
• First-principles screening of structural properties of intermetallic compounds on martensitic transformation

  Joohwi Lee; Yuji Ikeda; Isao Tanaka

  npj Computational Materials, 01 Dec. 2017

  
• DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations

  Abel Carreras; Atsushi Togo; Isao Tanaka

  COMPUTER PHYSICS COMMUNICATIONS, Dec. 2017

  
• Conceptual and practical bases for the high accuracy of machine learning interatomic potentials: Application to elemental titanium

  Akira Takahashi; Atsuto Seko; Isao Tanaka

  PHYSICAL REVIEW MATERIALS, Nov. 2017

  
• Comparison of approximations in density functional theory calculations: Energetics and structure of binary oxides

  Yoyo Hinuma; Hiroyuki Hayashi; Yu Kumagai; Isao Tanaka; Fumiyasu Oba

  PHYSICAL REVIEW B, Sep. 2017

  
• Theoretical investigation of solid solution states of Ti1-xVxH2

  Noriko Otani; Akihide Kuwabara; Takafumi Ogawa; Junko Matsuda; Atsuto Seko; Isao Tanaka; Etsuo Akiba

  ACTA MATERIALIA, Aug. 2017

  
• Atomistic Origin of Phase Stability in Oxygen-Functionalized MXene: A Comparative Study

  Avanish Mishra; Pooja Srivastava; Abel Carreras; Isao Tanaka; Hiroshi Mizuseki; Kwang-Ryeol Lee; Abhishek K. Singh

  JOURNAL OF PHYSICAL CHEMISTRY C, Aug. 2017

  
• Ultra-severe plastic deformation: Evolution of microstructure, phase transformation and hardness in immiscible magnesium-based systems

  Kaveh Edalati; Ryoko Uehiro; Keisuke Fujiwara; Yuji Ikeda; Hai-Wen Li; Xavier Sauvage; Ruslan Z. Valiev; Etsuo Akiba; Isao Tanaka; Zenji Horita

  MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, Jul. 2017

  
• Thermoelectric phase diagram of the SrTiO3-SrNbO3 solid solution system

  Yuqiao Zhang; Bin Feng; Hiroyuki Hayashi; Tetsuya Tohei; Isao Tanaka; Yuichi Ikuhara; Hiromichi Ohta

  JOURNAL OF APPLIED PHYSICS, May 2017

  
• First-Principles Selection of Solute Elements for Er-Stabilized Bi2O3 Oxide-Ion Conductor with Improved Long-Term Stability at Moderate Temperatures

  Kazuki Shitara; Takafumi Moriasa; Akifumi Sumitani; Atsuto Seko; Hiroyuki Hayashi; Yukinori Koyama; Rong Huang; Donglin Han; Hiroki Moriwake; Isao Tanaka

  CHEMISTRY OF MATERIALS, Apr. 2017

  
• Representation of compounds for machine-learning prediction of physical properties

  Atsuto Seko; Hiroyuki Hayashi; Keita Nakayama; Akira Takahashi; Isao Tanaka

  PHYSICAL REVIEW B, Apr. 2017

  
• Band structure diagram paths based on crystallography

  Yoyo Hinuma; Giovanni Pizzi; Yu Kumagai; Fumiyasu Oba; Isao Tanaka

  COMPUTATIONAL MATERIALS SCIENCE, Feb. 2017

  
• Band alignment of semiconductors and insulators using dielectric-dependent hybrid functionals: Toward high-throughput evaluation

  Yoyo Hinuma; Yu Kumagai; Isao Tanaka; Fumiyasu Oba

  PHYSICAL REVIEW B, Feb. 2017

  
• 第一原理計算と機械学習を用いた材料物性予測 (第一原理からの物性シミュレーション特集号) -- (材料物性とインフォマティクス)

  世古 敦人; 田中 功

  固体物理, Jan. 2017

  
• Discovery of a Novel Sn(II)-Based Oxide beta-SnMoO4 for Daylight-Driven Photocatalysis

  Hiroyuki Hayashi; Shota Katayama; Takahiro Komura; Yoyo Hinuma; Tomoyasu Yokoyama; Ko Mibu; Fumiyasu Oba; Isao Tanaka

  ADVANCED SCIENCE, Jan. 2017

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• New Approaches to Computational Materials Science Using First Principles Methods

  Tanaka Isao

  Materia Japan, Jan. 2017

  
• リチウムイオン電池の量子材料設計

  小山 幸典; 田中 功

  まてりあ, Jan. 2017

  
• Phase transition of fluorite-related TiO₂ during decompression

  Murata Hidenobu; Taniguchi Takashi; Tanaka Isao

  Meeting Abstracts of the Physical Society of Japan, Jan. 2017

  
• Mode decomposition based on crystallographic symmetry in the band-unfolding method

  Yuji Ikeda; Abel Carreras; Atsuto Seko; Atsushi Togo; Isao Tanaka

  PHYSICAL REVIEW B, Jan. 2017

  
• Materials Design Using Firs-Principles Calculations for Lithium-Ion Batteries

  小山 幸典; 田中 功

  まてりあ = Materia Japan, Jan. 2017

  
• Competing Structural Instabilities in the Ruddlesden Popper Derivatives HRTiO4 (R = Rare Earths): Oxygen Octahedral Rotations Inducing Noncentrosymmetricity and Layer Sliding Retaining Centrosymmetricity

  Arnab Sen Gupta; Hirofumi Akamatsu; Forrest G. Brown; Minh An T. Nguyen; Megan E. Strayer; Saul Lapidus; Suguru Yoshida; Koji Fujita; Katsuhisa Tanaka; Isao Tanaka; Thomas E. Mallouk; Venkatrarnan Gopalan

  CHEMISTRY OF MATERIALS, Jan. 2017, Peer-reviewed

  
• omega structure in steel: A first-principles study

  Yuji Ikeda; Isao Tanaka

  JOURNAL OF ALLOYS AND COMPOUNDS, Nov. 2016, Peer-reviewed

  
• Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors

  Shibuya Taizo; Skelton Jonathan M.; Jackson Adam J.; Yasuoka Kenji; Togo Atsushi; Tanaka Isao; Walsh Aron

  APL Materials, Oct. 2016

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• Low phonon conductivity of layered BiCuOS, BiCuOSe, and BiCuOTe from first principles

  Hyo Seok Ji; Atsushi Togo; Massoud Kaviany; Isao Tanaka; Ji Hoon Shim

  PHYSICAL REVIEW B, Sep. 2016, Peer-reviewed

  
• Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions

  Jonathan M. Skelton; Lee A. Burton; Stephen C. Parker; Aron Walsh; Chang-Eun Kim; Aloysius Soon; John Buckeridge; Alexey A. Sokol; C. Richard A. Catlow; Atsushi Togo; Isao Tanaka

  PHYSICAL REVIEW LETTERS, Aug. 2016, Peer-reviewed

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• First-principles calculations of high-pressure phase transition of TiO2 during decompression: From baddeleyite-type TiO2 to α-PbO2-type TiO2

  Hidenobu Murata; Takashi Taniguchi; Isao Tanaka

  Journal of Applied Physics, Aug. 2016, Peer-reviewed, Invited

  
• Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis

  Yoyo Hinuma; Taisuke Hatakeyama; Yu Kumagai; Lee A. Burton; Hikaru Sato; Yoshinori Muraba; Soshi Iimura; Hidenori Hiramatsu; Isao Tanaka; Hideo Hosono; Fumiyasu Oba

  NATURE COMMUNICATIONS, Jun. 2016, Peer-reviewed

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• Electronic Structure and Defect Chemistry of Tin(II) Complex Oxide SnNb2O6

  Shota Katayama; Hiroyuki Hayashi; Yu Kumagai; Fumiyasu Oba; Isao Tanaka

  JOURNAL OF PHYSICAL CHEMISTRY C, May 2016, Peer-reviewed

  
• New nanostructured phases with reversible hydrogen storage capability in immiscible magnesium-zirconium system produced by high-pressure torsion

  Kaveh Edalati; Hoda Emami; Yuji Ikeda; Hideaki Iwaoka; Isao Tanaka; Etsuo Akiba; Zenji Horita

  ACTA MATERIALIA, Apr. 2016, Peer-reviewed

  
• Pure H- conduction in oxyhydrides

  Genki Kobayashi; Yoyo Hinuma; Shinji Matsuoka; Akihiro Watanabe; Muhammad Iqbal; Masaaki Hirayama; Masao Yonemura; Takashi Kamiyama; Isao Tanaka; Ryoji Kanno

  SCIENCE, Mar. 2016, Peer-reviewed

  
• Prediction model of band gap for inorganic compounds by combination of density functional theory calculations and machine learning techniques

  Joohwi Lee; Atsuto Seko; Kazuki Shitara; Keita Nakayama; Isao Tanaka

  PHYSICAL REVIEW B, Mar. 2016, Peer-reviewed

  
• Stability of the omega structure of transition elements

  Yuji Ikeda; Isao Tanaka

  PHYSICAL REVIEW B, Mar. 2016, Peer-reviewed

  
• Categorization of surface polarity from a crystallographic approach

  Yoyo Hinuma; Yu Kumagai; Fumiyasu Oba; Isao Tanaka

  COMPUTATIONAL MATERIALS SCIENCE, Feb. 2016, Peer-reviewed

  
• Recent Activity of Elements Strategy Initiative for Structure Materials (ESISM)

  Tanaka Isao

  Meeting Abstracts of the Physical Society of Japan, Jan. 2016

  
• マテリアルズ・インフォマティクスに基づいた材料および機能探索

  田中 功; 世古 敦人; 森分 博紀

  Fine ceramics report, Jan. 2016

  
• Improper Inversion Symmetry Breaking and Piezoelectricity through Oxygen Octahedral Rotations in Layered Perovskite Family, LiRTiO4 (R = Rare Earths)

  Arnab Sen Gupta; Hirofumi Akamatsu; Megan E. Strayer; Shiming Lei; Toshihiro Kuge; Koji Fujita; Clarina dela Cruz; Atsushi Togo; Isao Tanaka; Katsuhisa Tanaka; Thomas E. Mallouk; Venkatraman Gopalan

  ADVANCED ELECTRONIC MATERIALS, Jan. 2016, Peer-reviewed

  
• Local environment of Cu-doped α-PbO₂-type TiO₂

  Murata Hidenobu; Taniguchi Takashi; Tanaka Isao

  Meeting Abstracts of the Physical Society of Japan, Jan. 2016

  
• Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization

  Atsuto Seko; Atsushi Togo; Hiroyuki Hayashi; Koji Tsuda; Laurent Chaput; Isao Tanaka

  PHYSICAL REVIEW LETTERS, Nov. 2015, Peer-reviewed

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• First principles phonon calculations in materials science

  Atsushi Togo; Isao Tanaka

  SCRIPTA MATERIALIA, Nov. 2015, Peer-reviewed

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• Stability of 12CaO center dot 7Al(2)O(3) Crystal under High-Pressure: Experimental and First-Principles Approaches

  Hidenobu Murata; Masashi Miyakawa; Isao Tanaka; Takashi Taniguchi

  MATERIALS TRANSACTIONS, Sep. 2015, Peer-reviewed

  
• Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors

  Jonathan M. Skelton; Davide Tiana; Stephen C. Parker; Atsushi Togo; Isao Tanaka; Aron Walsh

  JOURNAL OF CHEMICAL PHYSICS, Aug. 2015, Peer-reviewed

  
• First-principles interatomic potentials for ten elemental metals via compressed sensing

  Atsuto Seko; Akira Takahashi; Isao Tanaka

  PHYSICAL REVIEW B, Aug. 2015, Peer-reviewed

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• Epitaxial growth of tin(II) niobate with a pyrochlore structure

  Shota Katayama; Yusuke Ogawa; Hiroyuki Hayashi; Fumiyasu Oba; Isao Tanaka

  JOURNAL OF CRYSTAL GROWTH, Apr. 2015

  
• Li Intercalation into a beta-MnO2 Grain Boundary

  James A. Dawson; Isao Tanaka

  ACS APPLIED MATERIALS & INTERFACES, Apr. 2015

  
• Selective fabrication of n- and p-type SnO films without doping

  Hiroyuki Hayashi; Shota Katayama; Rong Huang; Kosuke Kurushima; Isao Tanaka

  PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, Mar. 2015

  
• Distributions of phonon lifetimes in Brillouin zones

  Atsushi Togo; Laurent Chaput; Isao Tanaka

  PHYSICAL REVIEW B, Mar. 2015

  
• First-Principles Insight into the Hydration Ability and Proton Conduction of the Solid State Proton Conductor, Y and Sn Co-Doped BaZrO3

  James A. Dawson; James A. Miller; Isao Tanaka

  CHEMISTRY OF MATERIALS, Feb. 2015

  
• Special quasirandom structure in heterovalent ionic systems

  Atsuto Seko; Isao Tanaka

  PHYSICAL REVIEW B, Jan. 2015

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• First principles study of thermal conductivity cross-over in nanostructured zinc-chalcogenides

  Ankita Katre; Atsushi Togo; Isao Tanaka; Georg K. H. Madsen

  JOURNAL OF APPLIED PHYSICS, Jan. 2015

  
• First-Principles Calculations of Oxygen Vacancy Formation and Metallic Behavior at a beta-MnO2 Grain Boundary

  James A. Dawson; Hungru Chen; Isao Tanaka

  ACS APPLIED MATERIALS & INTERFACES, Jan. 2015

  
• 23pAJ-4 Materials Informatics with first principles

  Tanaka I.; Seko A.; Togo A.

  Meeting Abstracts of the Physical Society of Japan, Jan. 2015, Peer-reviewed

  
• Materials Informatics : Present and Future

  田中 功; 世古 敦人

  Ceramics Japan = セラミックス : bulletin of the Ceramic Society of Japan, Jan. 2015, Peer-reviewed

  
• Applications of machine learning techniques in materials science based on systematic density-functional calculations

  SEKO Atsuto; TANAKA Isao

  電子情報通信学会技術研究報告. IBISML, 情報論的学習理論と機械学習, Jan. 2015, Peer-reviewed

  
• Crystal structure, defect chemistry and oxygen ion transport of the ferroelectric perovskite, Na0.5Bi0.5TiO3: insights from first-principles calculations

  James A. Dawson; Hungru Chen; Isao Tanaka

  JOURNAL OF MATERIALS CHEMISTRY A, 2015, Peer-reviewed

  
• Proton trapping in Y and Sn Co-doped BaZrO3

  James A. Dawson; Isao Tanaka

  JOURNAL OF MATERIALS CHEMISTRY A, 2015

  
• Toward materials discovery with first-principles datasets and learning methods

  Isao Tanaka; Atsuto Seko

  Springer Series in Materials Science, 2015, Peer-reviewed

  
• Efficient determination of alloy ground-state structures

  Seko Atsuto; Shitara Kazuki; Tanaka Isao

  PHYSICAL REVIEW B, 10 Nov. 2014, Peer-reviewed

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• Local Structure and Energetics of Pr- and La-Doped SrTiO3 Grain Boundaries and the Influence on Core-Shell Structure Formation

  James A. Dawson; Isao Tanaka

  JOURNAL OF PHYSICAL CHEMISTRY C, Nov. 2014

  
• Efficient determination of alloy ground-state structures

  Atsuto Seko; Kazuki Shitara; Isao Tanaka

  PHYSICAL REVIEW B, Nov. 2014

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• Phonon softening in paramagnetic bcc Fe and its relationship to the pressure-induced phase transition

  Yuji Ikeda; Atsuto Seko; Atsushi Togo; Isao Tanaka

  PHYSICAL REVIEW B, Oct. 2014

  
• Oxygen Vacancy Formation and Reduction Properties of beta-MnO2 Grain Boundaries and the Potential for High Electrochemical Performance

  James A. Dawson; Isao Tanaka

  ACS APPLIED MATERIALS & INTERFACES, Oct. 2014

  
• Photocatalytic activity of alpha-PbO2-type TiO2

  Hidenobu Murata; Yusuke Kataoka; Tatsuya Kawamoto; Isao Tanaka; Takashi Taniguchi

  PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, Oct. 2014

  
• Surface design of alloy protection against CO-poisoning from first principles

  Koretaka Yuge; Yukinori Koyama; Akihide Kuwabara; Isao Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, Sep. 2014, Peer-reviewed

  
• Significant Reduction in Hydration Energy for Yttria Stabilized Zirconia Grain Boundaries and the Consequences for Proton Conduction

  James A. Dawson; Isao Tanaka

  LANGMUIR, Sep. 2014, Peer-reviewed

  
• Accelerated discovery of cathode materials with prolonged cycle life for lithium-ion battery

  Motoaki Nishijima; Takuya Ootani; Yuichi Kamimura; Toshitsugu Sueki; Shogo Esaki; Shunsuke Murai; Koji Fujita; Katsuhisa Tanaka; Koji Ohira; Yukinori Koyama; Isao Tanaka

  NATURE COMMUNICATIONS, Aug. 2014, Peer-reviewed

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• Combined Ab Initio and Interatomic Potentials Based Assessment of the Defect Structure of Mn-Doped SrTiO3

  J. A. Dawson; H. Chen; I. Tanaka

  JOURNAL OF PHYSICAL CHEMISTRY C, Jul. 2014, Peer-reviewed

  
• Sparse representation for a potential energy surface

  Atsuto Seko; Akira Takahashi; Isao Tanaka

  PHYSICAL REVIEW B, Jul. 2014, Peer-reviewed

  
• Impact of local strain on Ti-L-2,L-3 electron energy-loss near-edge structures of BaTiO3: a first-principles multiplet study

  Shirou Ootsuki; Hidekazu Ikeno; Yuji Umeda; Yu Yonezawa; Hiroki Moriwake; Akihide Kuwabara; Osamu Kido; Satoko Ueda; Isao Tanaka; Yoshinori Fujikawa; Teruyasu Mizoguchi

  MICROSCOPY, Jun. 2014, Peer-reviewed

  
• Impact of local strain on Ti-L-2,L-3 electron energy-loss near-edge structures of BaTiO3: a first-principles multiplet study

  Shirou Ootsuki; Hidekazu Ikeno; Yuji Umeda; Yu Yonezawa; Hiroki Moriwake; Akihide Kuwabara; Osamu Kido; Satoko Ueda; Isao Tanaka; Yoshinori Fujikawa; Teruyasu Mizoguchi

  MICROSCOPY, Jun. 2014, Peer-reviewed

  
• Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles

  Jonathan M. Skelton; Stephen C. Parker; Atsushi Togo; Isao Tanaka; Aron Walsh

  PHYSICAL REVIEW B, May 2014, Peer-reviewed

  
• Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper NaRTiO4 Family

  Hirofumi Akamatsu; Koji Fujita; Toshihiro Kuge; Arnab Sen Gupta; Atsushi Togo; Shiming Lei; Fei Xue; Greg Stone; James M. Rondinelli; Long-Qing Chen; Isao Tanaka; Venkatraman Gopalan; Katsuhisa Tanaka

  PHYSICAL REVIEW LETTERS, May 2014, Peer-reviewed

  
• High-pressure torsion of titanium at cryogenic and room temperatures: Grain size effect on allotropic phase transformations

  Kaveh Edalati; Takeshi Daio; Makoto Arita; Seungwon Lee; Zenji Horita; Atsushi Togo; Isao Tanaka

  ACTA MATERIALIA, Apr. 2014, Peer-reviewed

  
• Cluster expansion of multicomponent ionic systems with controlled accuracy: importance of long-range interactions in heterovalent ionic systems

  Atsuto Seko; Isao Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, Mar. 2014, Peer-reviewed

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• Magnetic structures of FeTiO3-Fe2O3 solid solution thin films studied by soft X-ray magnetic circular dichroism and ab initio multiplet calculations

  H. Hojo; K. Fujita; H. Ikeno; T. Matoba; T. Mizoguchi; I. Tanaka; T. Nakamura; Y. Takeda; T. Okane; K. Tanaka

  APPLIED PHYSICS LETTERS, Mar. 2014, Peer-reviewed

  
• Cytotoxicity of stoichiometric hydroxyapatites with different crystallite sizes

  Kazuki Shitara; Hidenobu Murata; Kenji Watanabe; Chie Kojima; Yuki Sumida; Atsutomo Nakamura; Atsushi Nakahira; Isao Tanaka; Katsuyuki Matsunaga

  Journal of Asian Ceramic Societies, Mar. 2014, Peer-reviewed

  
• Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solids

  Atsuto Seko; Tomoya Maekawa; Koji Tsuda; Isao Tanaka

  Physical Review B - Condensed Matter and Materials Physics, 18 Feb. 2014, Peer-reviewed

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• Mn L-2,L-3-edge X-ray absorption spectroscopic studies on charge-discharge mechanism of Li2MnO3

  Kei Kubobuchi; Masato Mogi; Hidekazu Ikeno; Isao Tanaka; Hideto Imai; Teruyasu Mizoguchi

  APPLIED PHYSICS LETTERS, Feb. 2014, Peer-reviewed

  
• Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solids

  Atsuto Seko; Tomoya Maekawa; Koji Tsuda; Isao Tanaka

  PHYSICAL REVIEW B, Feb. 2014, Peer-reviewed

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• 29pAB-5 Progress in First-Principles Phonon Calculations

  Togo A; Tanaka Isao

  Meeting abstracts of the Physical Society of Japan, Jan. 2014, Peer-reviewed

  
• Atomic Structure of Luminescent Centers in High-Efficiency Ce-doped w-AlN Single Crystal

  Ryo Ishikawa; Andrew R. Lupini; Fumiyasu Oba; Scott D. Findlay; Naoya Shibata; Takashi Taniguchi; Kenji Watanabe; Hiroyuki Hayashi; Toshifumi Sakai; Isao Tanaka; Yuichi Ikuhara; Stephen J. Pennycook

  SCIENTIFIC REPORTS, Jan. 2014, Peer-reviewed

  
• An Improved Method for Quantitatively Predicting the Electrochemical Stabilities of Organic Liquid Electrolytes Using Ab Initio Calculations

  Hiroyuki Maeshima; Hiroki Moriwake; Akihide Kuwabara; Craig A. J. Fisher; Isao Tanaka

  JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2014, Peer-reviewed

  
• Zr coordination change during crystallization of MgO-Al2O3-SiO2-ZrO2 glass ceramics

  Christian Patzig; Thomas Hoeche; Yongfeng Hu; Hidekazu Ikeno; Michael Krause; Marc Dittmer; Antje Gawronski; Christian Ruessel; Isao Tanaka; Grant S. Henderson

  JOURNAL OF NON-CRYSTALLINE SOLIDS, Jan. 2014, Peer-reviewed

  
• Proton incorporation and trapping in ZrO2 grain boundaries

  James A. Dawson; Isao Tanaka

  JOURNAL OF MATERIALS CHEMISTRY A, 2014, Peer-reviewed

  
• Protonic defects in yttria stabilized zirconia: incorporation, trapping and migration

  James A. Dawson; Hungru Chen; Isao Tanaka

  PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, Peer-reviewed

  
• First principles study of dopant solubility and defect chemistry in LiCoO2

  Yukinori Koyama; Hajime Arai; Isao Tanaka; Yoshiharu Uchimoto; Zempachi Ogumi

  JOURNAL OF MATERIALS CHEMISTRY A, 2014, Peer-reviewed

  
• Local environment of silicon in cubic boron nitride

  Hidenobu Murata; Takashi Taniguchi; Shunichi Hishita; Tomoyuki Yamamoto; Fumiyasu Oba; Isao Tanaka

  JOURNAL OF APPLIED PHYSICS, Dec. 2013, Peer-reviewed

  
• High temperature defect chemistry in layered lithium transition-metal oxides based on first-principles calculations

  Yukinori Koyama; Hajime Arai; Isao Tanaka; Yoshiharu Uchimoto; Zempachi Ogumi

  JOURNAL OF POWER SOURCES, Dec. 2013, Peer-reviewed

  
• Effect of local coordination of Mn on Mn-L2,3 edge electron energy loss spectrum

  Shuji Nishida; Shunsuke Kobayashi; Akihito Kumamoto; Hidekazu Ikeno; Teruyasu Mizoguchi; Isao Tanaka; Yuichi Ikuhara; Takahisa Yamamoto

  Journal of Applied Physics, 07 Aug. 2013, Peer-reviewed

  
• The Be K-edge in beryllium oxide and chalcogenides: soft x-ray absorption spectra from first-principles theory and experiment

  W. Olovsson; L. Weinhardt; O. Fuchs; I. Tanaka; P. Puschnig; E. Umbach; C. Heske; C. Draxl

  JOURNAL OF PHYSICS-CONDENSED MATTER, Aug. 2013, Peer-reviewed

  
• Theoretical Calculations of Segregation Behavior of Zinc and Magnesium at Hydroxyapatite Surface in Contact with Water

  Masahiro Mori; Katsuyuki Matsunaga; Tomonori Kubota; Akira Goto; Kazuaki Toyoura; Atsutomo Nakamura; Isao Tanaka

  MATERIALS TRANSACTIONS, Aug. 2013, Peer-reviewed

  
• Accelerated Materials Design of Lithium Superionic Conductors Based on First-Principles Calculations and Machine Learning Algorithms

  Koji Fujimura; Atsuto Seko; Yukinori Koyama; Akihide Kuwabara; Ippei Kishida; Kazuki Shitara; Craig A. J. Fisher; Hiroki Moriwake; Isao Tanaka

  ADVANCED ENERGY MATERIALS, Aug. 2013, Peer-reviewed

  
• Valence band offsets at zinc-blende heterointerfaces with misfit dislocations: A first-principles study

  Yoyo Hinuma; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, Aug. 2013, Peer-reviewed

  
• Band offsets of CuInSe2/CdS and CuInSe2/ZnS (110) interfaces: A hybrid density functional theory study

  Yoyo Hinuma; Fumiyasu Oba; Yu Kumagai; Isao Tanaka

  PHYSICAL REVIEW B, Jul. 2013, Peer-reviewed

  
• First-principles study of valence band offsets at ZnSnP2/CdS, ZnSnP2/ZnS, and related chalcopyrite/zincblende heterointerfaces

  Yoyo Hinuma; Fumiyasu Oba; Yoshitaro Nose; Isao Tanaka

  JOURNAL OF APPLIED PHYSICS, Jul. 2013, Peer-reviewed

  
• Theoretical Photovoltaic Conversion Efficiencies of ZnSnP2, CdSnP2, and Zn1-xCdxSnP2 Alloys

  Tomoyasu Yokoyama; Fumiyasu Oba; Atsuto Seko; Hiroyuki Hayashi; Yoshitaro Nose; Isao Tanaka

  APPLIED PHYSICS EXPRESS, Jun. 2013, Peer-reviewed

  
• Evolution of crystal structures in metallic elements

  Atsushi Togo; Isao Tanaka

  PHYSICAL REVIEW B, May 2013, Peer-reviewed

  
• Vanadium L2,3 XANES experiments and first-principles multielectron calculations: Impact of second-nearest neighboring cations on vanadium-bearing fresnoites

  Thomas Höche; Hidekazu Ikeno; Marisa Mäder; Grant S. Henderson; Robert I.R. Blyth; Brian C. Sales; Isao Tanaka

  American Mineralogist, Apr. 2013, Peer-reviewed

  
• Variation of Zr-L-2,L-3 XANES in tetravalent zirconium oxides

  Hidekazu Ikeno; Michael Krause; Thomas Hoeche; Christian Patzig; Yongfeng Hu; Antje Gawronski; Isao Tanaka; Christian Ruessel

  JOURNAL OF PHYSICS-CONDENSED MATTER, Apr. 2013, Peer-reviewed

  
• Strong Spin-Lattice Coupling Through Oxygen Octahedral Rotation in Divalent Europium Perovskites

  Hirofumi Akamatsu; Yu Kumagai; Fumiyasu Oba; Koji Fujita; Katsuhisa Tanaka; Isao Tanaka

  ADVANCED FUNCTIONAL MATERIALS, Apr. 2013, Peer-reviewed

  
• Functional Complex Point-Defect Structure in a Huge-Size-Mismatch System

  Ryo Ishikawa; Naoya Shibata; Fumiyasu Oba; Takashi Taniguchi; Scott D. Findlay; Isao Tanaka; Yuichi Ikuhara

  PHYSICAL REVIEW LETTERS, Feb. 2013, Peer-reviewed

  
• 26pXB-5 強さとねばさを併せもつ構造材料をめざして(26pXB 領域8,領域3,領域4,領域7,領域9,領域10合同シンポジウム:元素戦略が促進する分野融合と物理,領域8(強相関系:高温超伝導,強相関f電子系など))

  田中 功

  日本物理学会講演概要集, Jan. 2013

  
• 構造材料グループの研究紹介 (特集 元素戦略プロジェクト)

  田中 功; 大沼 正人; 乾 晴行

  ぶんせき, Jan. 2013

  
• 構造材料グループの研究紹介

  田中 功; 大沼 正人; 乾 晴行; 幾原 雄一

  ぶんせき, Jan. 2013

  
• 26pXB-5 Toward strong and ductile structural materials

  Tanaka Isao

  Meeting abstracts of the Physical Society of Japan, Jan. 2013

  
• Anti-ferrodistortive-Like Oxygen-Octahedron Rotation Induced by the Oxygen Vacancy in Cubic SrTiO3

  Minseok Choi; Fumiyasu Oba; Yu Kumagai; Isao Tanaka

  ADVANCED MATERIALS, Jan. 2013, Peer-reviewed

  
• Site preference of cation vacancies in Mn-doped Ga2O3 with defective spinel structure

  Hiroyuki Hayashi; Rong Huang; Fumiyasu Oba; Tsukasa Hirayama; Isao Tanaka

  APPLIED PHYSICS LETTERS, Dec. 2012, Peer-reviewed

  
• Ionization potentials of (112) and (11(2)over-bar) facet surfaces of CuInSe2 and CuGaSe2

  Yoyo Hinuma; Fumiyasu Oba; Yu Kumagai; Isao Tanaka

  PHYSICAL REVIEW B, Dec. 2012, Peer-reviewed

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• Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary system via first-principles calculations

  Bin Liu; Atsuto Seko; Isao Tanaka

  PHYSICAL REVIEW B, Dec. 2012, Peer-reviewed

  
• First-Principles Study on Relaxor-Type Ferroelectric Behavior without Chemical Inhomogeneity in BaTaO2N and SrTaO2N

  Yoyo Hinuma; Hiroki Moriwake; Ya-Ru Zhang; Teruki Motohash; Shinichi Kikkawa; Isao Tanaka

  CHEMISTRY OF MATERIALS, Nov. 2012, Peer-reviewed

  
• First-principles molecular dynamics study for average structure and oxygen diffusivity at high temperature in cubic Bi2O3

  Atsuto Seko; Yukinori Koyama; Akifumi Matsumoto; Isao Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, Nov. 2012, Peer-reviewed

  
• Defect Chemistry in Layered LiMO2 (M = Co, Ni, Mn, and Li1/3Mn2/3) by First-Principles Calculations

  Yukinori Koyama; Hajime Arai; Isao Tanaka; Yoshiharu Uchimoto; Zempachi Ogumi

  CHEMISTRY OF MATERIALS, Oct. 2012, Peer-reviewed

  
• Proton-Conducting Network in Lanthanum Orthophosphate

  Kazuaki Toyoura; Naoyuki Hatada; Yoshitaro Nose; Isao Tanaka; Katsuyuki Matsunaga; Tetsuya Uda

  JOURNAL OF PHYSICAL CHEMISTRY C, Sep. 2012, Peer-reviewed

  
• Atomic-level modeling and computation of intergranular glassy film in high-purity Si3N4 ceramics

  Masato Yoshiya; Isao Tanaka; Hirohiko Adachi

  JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, Jun. 2012, Peer-reviewed

  
• Tetravalent Dysprosium in a Perovskite-Type Oxide

  Donglin Han; Tetsuya Uda; Yoshitaro Nose; Toshihiro Okajima; Hidenobu Murata; Isao Tanaka; Kozo Shinoda

  ADVANCED MATERIALS, Apr. 2012, Peer-reviewed

  
• Crystal and Electronic Structure and Magnetic Properties of Divalent Europium Perovskite Oxides EuMO3 (M = Ti, Zr, and Hf): Experimental and First-Principles Approaches

  Hirofumi Akamatsu; Koji Fujita; Hiroyuki Hayashi; Takahiro Kawamoto; Yu Kumagai; Yanhua Zong; Koji Iwata; Fumiyasu Oba; Isao Tanaka; Katsuhisa Tanaka

  INORGANIC CHEMISTRY, Apr. 2012, Peer-reviewed

  
• Co K-edge XANES of LiCoO2 and CoO2 with a variety of structures by supercell density functional calculations with a core hole

  Yukinori Koyama; Hajime Arai; Zempachi Ogumi; Isao Tanaka; Yoshiharu Uchimoto

  PHYSICAL REVIEW B, Feb. 2012, Peer-reviewed

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• Calculation of Phase Stability from First Principles Thermodynamics

  SEKO Atsuto; OBA Fumiyasu; KUMAGAI Yu; TANAKA Isao

  Ceramics Japan : Bulletin of the Ceramic Society of Japan, Jan. 2012, Peer-reviewed

  
• First-principles calculations of the phase diagrams and band gaps in CuInSe2-CuGaSe2 and CuInSe2-CuAlSe2 pseudobinary systems

  Yu Kumagai; Yoshito Soda; Fumiyasu Oba; Atsuto Seko; Isao Tanaka

  PHYSICAL REVIEW B, Jan. 2012, Peer-reviewed

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• Ground-state search in multicomponent magnetic systems

  Yu Kumagai; Atsuto Seko; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, Jan. 2012, Peer-reviewed

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• 高精度第一原理計算に基づいたマテリアルズ・インフォマティクスの展開 (特集 材料設計ソリューションの開発・利用の現状と課題) -- (先端研究開発動向)

  田中 功; 世古 敦人; 大場 史康

  工業材料, Jan. 2012, Peer-reviewed

  
• Defect chemistry of a BaZrO3 Sigma 3 (111) grain boundary by first principles calculations and space-charge theory

  Jonathan M. Polfus; Kazuaki Toyoura; Fumiyasu Oba; Isao Tanaka; Reidar Haugsrud

  PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, Peer-reviewed

  
• Nitrogen and hydrogen defect equilibria in Ca12Al14O33: a combined experimental and computational study

  Jonathan M. Polfus; Kazuaki Toyoura; Charles H. Hervoches; Martin F. Sunding; Isao Tanaka; Reidar Haugsrud

  JOURNAL OF MATERIALS CHEMISTRY, 2012, Peer-reviewed

  
• Ab-initio multiplet calculation of oxygen vacancy effect on Ti-L-2,L-3 electron energy loss near edge structures of BaTiO3

  S. Ootsuki; H. Ikeno; Y. Umeda; H. Moriwake; A. Kuwabara; O. Kido; S. Ueda; I. Tanaka; Y. Fujikawa; T. Mizoguchi

  APPLIED PHYSICS LETTERS, Dec. 2011, Peer-reviewed

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• First-principles thermodynamics of La2O3-P2O5 pseudobinary system

  Kazuaki Toyoura; Naoyuki Hatada; Yoshitaro Nose; Tetsuya Uda; Isao Tanaka

  PHYSICAL REVIEW B, Nov. 2011, Peer-reviewed

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• First-principles calculations of lattice dynamics in CdTiO3 and CaTiO3: Phase stability and ferroelectricity

  Hiroki Moriwake; Akihide Kuwabara; Craig A.J. Fisher; Hiroki Taniguchi; Mitsuru Itoh; Isao Tanaka

  Physical Review B - Condensed Matter and Materials Physics, 09 Sep. 2011, Peer-reviewed

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• First-principles calculations of lattice dynamics in CdTiO3 and CaTiO3: Phase stability and ferroelectricity

  Moriwake Hiroki; Kuwabara Akihide; Fisher Craig A. J; Taniguchi Hiroki; Itoh Mitsuru; Tanaka Isao

  PHYSICAL REVIEW B, 09 Sep. 2011, Peer-reviewed

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• Phonon-phonon interactions in transition metals

  Laurent Chaput; Atsushi Togo; Isao Tanaka; Gilles Hug

  PHYSICAL REVIEW B, Sep. 2011, Peer-reviewed

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• First-principles Calculations of the Phase Transition in CaTiO3 under Negative Static Pressure

  Hiroki Moriwake; Craig A. J. Fisher; Akihide Kuwabara; Tetsuya Tohei; Isao Tanaka

  JOURNAL OF THE KOREAN PHYSICAL SOCIETY, Sep. 2011, Peer-reviewed

  
• Alkali-metal adsorption and manipulation on a hydroxylated TiO2(110) surface using atomic force microscopy

  Ayhan Yurtsever; Yoshiaki Sugimoto; Masayuki Abe; Katsuyuki Matsunaga; Isao Tanaka; Seizo Morita

  PHYSICAL REVIEW B, Aug. 2011, Peer-reviewed

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• Atomic and electronic structures of the SrVO3-LaAlO3 interface

  Miaofang Chi; Teruyasu Mizoguchi; Lane W. Martin; John P. Bradley; Hidekazu Ikeno; Ramamoorthy Ramesh; Isao Tanaka; Nigel Browning

  JOURNAL OF APPLIED PHYSICS, Aug. 2011, Peer-reviewed

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• Epitaxial Growth and Characterization of Rocksalt ZnO Thin Films with Low-Level NiO Alloying

  Shota Katayama; Hiroyuki Hayashi; Fumiyasu Oba; Isao Tanaka

  JAPANESE JOURNAL OF APPLIED PHYSICS, Jul. 2011, Peer-reviewed

  
• Quantitative Prediction of Materials Properties by First Principles Calculations : Toward Materials Informatics

  田中 功; 東後 篤史; 世古 敦人

  セラミックス, Jun. 2011

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• Atomistic structure and energetics of interface between Mn-doped gamma-Ga2O3 and MgAl2O4

  Hiroyuki Hayashi; Rong Huang; Fumiyasu Oba; Tsukasa Hirayama; Isao Tanaka

  JOURNAL OF MATERIALS SCIENCE, Jun. 2011, Peer-reviewed

  
• Point defects in ZnO: an approach from first principles

  Fumiyasu Oba; Minseok Choi; Atsushi Togo; Isao Tanaka

  SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, Jun. 2011, Peer-reviewed

  
• Antiferromagnetic superexchange via 3d states of titanium in EuTiO3 as seen from hybrid Hartree-Fock density functional calculations

  Hirofumi Akamatsu; Yu Kumagai; Fumiyasu Oba; Koji Fujita; Hideo Murakami; Katsuhisa Tanaka; Isao Tanaka

  PHYSICAL REVIEW B, Jun. 2011, Peer-reviewed

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• Hybrid density functional study of oxygen vacancies in KTaO3 and NaTaO3

  Minseok Choi; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, Jun. 2011, Peer-reviewed

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• Theoretical Fingerprints of Transition Metal L-2,L-3 XANES and ELNES for Lithium Transition Metal Oxides by ab Initio Multiplet Calculations

  Hidekazu Ikeno; Teruyasu Mizoguchi; Yukinori Koyama; Zenpachi Ogumi; Yoshiharu Uchimoto; Isao Tanaka

  JOURNAL OF PHYSICAL CHEMISTRY C, Jun. 2011, Peer-reviewed

  
• Electronic structures of dynamically stable As2O3, Sb2O3, and Bi2O3 crystal polymorphs

  Akifumi Matsumoto; Yukinori Koyama; Atsushi Togo; Minseok Choi; Isao Tanaka

  PHYSICAL REVIEW B, Jun. 2011, Peer-reviewed

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• Grouping of structures for cluster expansion of multicomponent systems with controlled accuracy

  Atsuto Seko; Isao Tanaka

  PHYSICAL REVIEW B, Jun. 2011, Peer-reviewed

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• Al L-2,L-3 edge x-ray absorption spectra in III-V semiconductors: Many-body perturbation theory in comparison with experiment

  W. Olovsson; I. Tanaka; T. Mizoguchi; G. Radtke; P. Puschnig; C. Ambrosch-Draxl

  PHYSICAL REVIEW B, May 2011, Peer-reviewed

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• Ab initio charge transfer multiplet calculations on the L-2,L-3 XANES and ELNES of 3d transition metal oxides

  Hidekazu Ikeno; Teruyasu Mizoguchi; Isao Tanaka

  PHYSICAL REVIEW B, Apr. 2011, Peer-reviewed

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• Electronic and structural properties of the oxygen vacancy in BaTiO3

  Minseok Choi; Fumiyasu Oba; Isao Tanaka

  APPLIED PHYSICS LETTERS, Apr. 2011, Peer-reviewed

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• Epitaxial growth of Mn-doped gamma-Ga2O3 on spinel substrate

  Hiroyuki Hayashi; Rong Huang; Fumiyasu Oba; Tsukasa Hirayama; Isao Tanaka

  JOURNAL OF MATERIALS RESEARCH, Feb. 2011, Peer-reviewed

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• Synthesis and electrochemistry of monoclinic Li(MnxFe1-x)BO3: a combined experimental and computational study

  Atsuo Yamada; Nobuyuki Iwane; Shin-ichi Nishimura; Yukinori Koyama; Isao Tanaka

  JOURNAL OF MATERIALS CHEMISTRY, 2011, Peer-reviewed

  
• Native defects in oxide semiconductors: a density functional approach

  Fumiyasu Oba; Minseok Choi; Atsushi Togo; Atsuto Seko; Isao Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, Sep. 2010, Peer-reviewed

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• First-principles calculations of Zn-K XANES in Ca-deficient hydroxyapatite

  Hidenobu Murata; Kazuki Shitara; Isao Tanaka; Atsushi Nakahira; Teruyasu Mizoguchi; Katsuyuki Matsunaga

  JOURNAL OF PHYSICS-CONDENSED MATTER, Sep. 2010, Peer-reviewed

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• Phase relationships and structures of inorganic crystals by a combination of the cluster expansion method and first principles calculations

  Isao Tanaka; Atsuto Seko; Atsushi Togo; Yukinori Koyama; Fumiyasu Oba

  JOURNAL OF PHYSICS-CONDENSED MATTER, Sep. 2010, Peer-reviewed

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• Selected contributions from the 3rd Theory Meets Industry International Workshop, TMI2009 (Nagoya, Japan, 11-13 November 2009) PREFACE

  Isao Tanaka; Juergen Hafner; Erich Wimmer; Ryoji Asahi

  JOURNAL OF PHYSICS-CONDENSED MATTER, Sep. 2010, Peer-reviewed

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• Pourbaix diagrams of alkaline earth metal elements by combination of first principles calculations and thermochemical data

  T. Suzuki; M. Mori; K. Matsunaga; I. Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, Sep. 2010, Peer-reviewed

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• First-principles phonon calculations of thermal expansion in Ti3SiC2, Ti3AlC2, and Ti3GeC2

  Atsushi Togo; Laurent Chaput; Isao Tanaka; Gilles Hug

  PHYSICAL REVIEW B, May 2010, Peer-reviewed

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• Introduction of Educational Activity in The Other Academic Society to Reduce Hate for Science : Workshop for Refreshing Science in Classroom by The Japan Society of Applied Physics

  TANAKA Isao

  Ceramics Japan, Apr. 2010

  
• Anisotropic phonon density of states in FePt nanoparticles with L1(0) structure

  Tamada Yoshinori; Masuda Ryo; Togo Atsushi; Yamamoto Shinpei; Yoda Yoshitaka; Tanaka Isao; Seto Makoto; Nasu Saburo; Ono Teruo

  PHYSICAL REVIEW B, 01 Apr. 2010, Peer-reviewed

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• Structures and energetics of Bi2O3 polymorphs in a defective fluorite family derived by systematic first-principles lattice dynamics calculations

  Akifumi Matsumoto; Yukinori Koyama; Isao Tanaka

  PHYSICAL REVIEW B, Mar. 2010, Peer-reviewed

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• Classification of spinel structures based on first-principles cluster expansion analysis

  Atsuto Seko; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, Feb. 2010, Peer-reviewed

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• Doping of hexagonal boron nitride via intercalation: A theoretical prediction

  Fumiyasu Oba; Atsushi Togo; Isao Tanaka; Kenji Watanabe; Takashi Taniguchi

  PHYSICAL REVIEW B, Feb. 2010, Peer-reviewed

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• Effects of Off-Stoichiometry of LiC6 on the Lithium Diffusion Mechanism and Diffusivity by First Principles Calculations

  Kazuaki Toyoura; Yukinori Koyama; Akihide Kuwabara; Isao Tanaka

  JOURNAL OF PHYSICAL CHEMISTRY C, Feb. 2010, Peer-reviewed

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• クラスター展開法を用いた相平衡の理論計算 (特集 状態図の第一原理熱力学計算--現状と展望)

  世古 敦人; 田中 功

  金属, Jan. 2010

  
• Theoretical study on the structure and energetics of intergranular glassy film in Si3N4-SiO2 ceramics

  Masato Yoshiya; Isao Tanaka; Hirohiko Adachi; Rowland M. Cannon

  INTERNATIONAL JOURNAL OF MATERIALS RESEARCH, Jan. 2010, Peer-reviewed

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• Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations

  Isao Tanaka; Atsushi Togo; Atsuto Seko; Fumiyasu Oba; Yukinori Koyama; Akihide Kuwabara

  JOURNAL OF MATERIALS CHEMISTRY, 2010, Peer-reviewed

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• Theoretical ELNES using one-particle and multi-particle calculations

  Mizoguchi T; Olovsson W; Ikeno H; Tanaka I

  Micron, 2010, Peer-reviewed

  
• Cluster expansion method for multicomponent systems based on optimal selection of structures for density-functional theory calculations

  Atsuto Seko; Yukinori Koyama; Isao Tanaka

  PHYSICAL REVIEW B, Oct. 2009, Peer-reviewed

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• Role of Ti Antisitelike Defects in SrTiO3

  Minseok Choi; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW LETTERS, Oct. 2009, Peer-reviewed

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• Synthesis of Porous Aluminum Phosphate Bulks by Hydrothermal Hot Pressing Process and Their Analytical Characterizations

  H. Onoda; R. Sakai; A. Nakahira; I. Tanaka

  INORGANIC MATERIALS, Sep. 2009, Peer-reviewed

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• First-principles study of defect-induced potentials in Ca2CuO2Cl2

  Yu Kumagai; Fumiyasu Oba; Ikuya Yamada; Masaki Azuma; Isao Tanaka

  PHYSICAL REVIEW B, Aug. 2009, Peer-reviewed

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• Preparation of porous lanthanum phosphate with templates

  Hiroaki Onoda; Yuya Ishima; Atsushi Takenaka; Isao Tanaka

  MATERIALS RESEARCH BULLETIN, Aug. 2009, Peer-reviewed

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• Magnetic properties of ilmenite-hematite solid-solution thin films: Direct observation of antiphase boundaries and their correlation with magnetism

  Hajime Hojo; Koji Fujita; Teruyasu Mizoguchi; Kazuyuki Hirao; Isao Tanaka; Katsuhisa Tanaka; Yuichi Ikuhara

  PHYSICAL REVIEW B, Aug. 2009, Peer-reviewed

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• Variable anisotropy of ionic conduction in lithium nitride: Effect of duplex-charge transfer

  Ippei Kishida; Fumiyasu Oba; Yukinori Koyama; Akihide Kuwabara; Isao Tanaka

  PHYSICAL REVIEW B, Jul. 2009, Peer-reviewed

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• Lattice dynamics and thermal properties of SrHfO3 by first-principles calculations

  Hidenobu Murata; Tomoyuki Yamamoto; Hiroki Moriwake; Isao Tanaka

  PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, Jul. 2009, Peer-reviewed

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• Conduction-Band Structures of Wurtzite ZnO Solid Solutions by First Principles Calculations

  Z. J. Wang; I. Tanaka

  MATERIALS TRANSACTIONS, May 2009, Peer-reviewed

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• Special Issue on Nano-Materials Science for Atomic Scale Modification PREFACE

  Y. Ikuhara; I. Tanaka; T. Yamamoto

  MATERIALS TRANSACTIONS, May 2009, Peer-reviewed

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• First Principles Lattice Dynamics Calculations of Ag+ Doped KX (X = Cl, Br and I)

  Hidenobu Murata; Tomoyuki Yamamoto; Isao Tanaka

  MATERIALS TRANSACTIONS, May 2009, Peer-reviewed

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• Beam damage suppression of low-kappa porous Si-O-C films by cryo-electron-energy loss spectroscopy (EELS)

  Yuji Otsuka; Yumiko Shimizu; Isao Tanaka

  JOURNAL OF ELECTRON MICROSCOPY, Apr. 2009, Peer-reviewed

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• First-principles study on lithium removal from Li2MnO3

  Yukinori Koyama; Isao Tanaka; Miki Nagao; Ryoji Kanno

  JOURNAL OF POWER SOURCES, Apr. 2009, Peer-reviewed

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• Geometric ferroelectricity in rare-earth compounds RGaO3 and RInO3

  Tetsuya Tohei; Hiroki Moriwake; Hidenobu Murata; Akihide Kuwabara; Ryo Hashimoto; Tomoyuki Yamamoto; Isao Tanaka

  PHYSICAL REVIEW B, Apr. 2009, Peer-reviewed

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• First-principles investigation of atomic structures and stability of proton-exchanged layered sodium titanate

  Masahiro Mori; Yu Kumagai; Katsuyuki Matsunaga; Isao Tanaka

  PHYSICAL REVIEW B, Apr. 2009, Peer-reviewed

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• Near-edge structures from first principles all-electron Bethe-Salpeter equation calculations

  W. Olovsson; I. Tanaka; P. Puschnig; C. Ambrosch-Draxl

  JOURNAL OF PHYSICS-CONDENSED MATTER, Mar. 2009, Peer-reviewed

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• First-principles calculation of spectral features, chemical shift and absolute threshold of ELNES and XANES using a plane wave pseudopotential method

  Teruyasu Mizoguchi; Isao Tanaka; Shang-Peng Gao; Chris J. Pickard

  JOURNAL OF PHYSICS-CONDENSED MATTER, Mar. 2009, Peer-reviewed

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• Multiplet calculations of L-2,L-3 x-ray absorption near-edge structures for 3d transition-metal compounds

  Hidekazu Ikeno; Frank M. F. de Groot; Eli Stavitski; Isao Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, Mar. 2009, Peer-reviewed

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• All-electron CI calculations of 3d transition-metal L-2,L-3 XANES using zeroth-order regular approximation for relativistic effects

  Yu Kumagai; Hidekazu Ikeno; Isao Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, Mar. 2009, Peer-reviewed

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• First-principles calculations of x-ray absorption near edge structure and energy loss near edge structure: present and future

  Isao Tanaka; Teruyasu Mizoguchi

  JOURNAL OF PHYSICS-CONDENSED MATTER, Mar. 2009, Peer-reviewed

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• Proceedings of the First International Workshop on the Theoretical Calculation of ELNES and XANES (TEX2008) (Nagoya, Japan, 2-4 July 2008) PREFACE

  Isao Tanaka; Teruyasu Mizoguchi; Tomoyuki Yamamoto

  JOURNAL OF PHYSICS-CONDENSED MATTER, Mar. 2009, Peer-reviewed

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• Al-27 NMR Chemical Shifts in Oxide Crystals: A First-Principles Study

  Minseok Choi; Katsuyuki Matsunaga; Fumiyasu Oba; Isao Tanakat

  JOURNAL OF PHYSICAL CHEMISTRY C, Mar. 2009, Peer-reviewed

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• First-principles prediction of low-energy structures for AlH3

  Shoutian Sun; Xuezhi Ke; Changfeng Chen; Isao Tanaka

  PHYSICAL REVIEW B, Jan. 2009, Peer-reviewed

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• All-electron Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures

  W. Olovsson; I. Tanaka; T. Mizoguchi; P. Puschnig; C. Ambrosch-Draxl

  PHYSICAL REVIEW B, Jan. 2009, Peer-reviewed

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• First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound

  Kazuaki Toyoura; Yukinori Koyama; Akihide Kuwabara; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, Dec. 2008, Peer-reviewed

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• First principles calculations of advanced nitrides, oxides and alloys

  Isao Tanaka; Akihide Kuwabara; Koretaka Yuge; Atsuto Seko; Fumiyasu Oba; Katsuyuki Matsunaga

  SIAIONS AND NON-OXIDES, 2009, Peer-reviewed

  
• First Principles Calculation of CO and H-2 Adsorption on Strained Pt Surface

  Akihide Kuwabara; Yohei Saito; Yukinori Koyama; Fumiyasu Oba; Katsuyuki Matsunaga; Isao Tanaka

  MATERIALS TRANSACTIONS, Nov. 2008, Peer-reviewed

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• First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures

  Atsushi Togo; Fumiyasu Oba; Isao Tanaka

  Physical Review B - Condensed Matter and Materials Physics, 14 Oct. 2008, Peer-reviewed

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• First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures

  Atsushi Togo; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, Oct. 2008, Peer-reviewed

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• Influence of lanthanum addition on preparation and powder properties of cobalt phosphates

  Hiroaki Onoda; Keisuke Tange; Isao Tanaka

  JOURNAL OF MATERIALS SCIENCE, Aug. 2008, Peer-reviewed

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• Isostructural phase transitions of tetragonal perovskite titanates under negative hydrostatic pressure

  Hiroki Moriwake; Yukinori Koyama; Katsuyuki Matsunaga; Tsukasa Hirayama; Isao Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, Aug. 2008, Peer-reviewed

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• Lattice dynamics and thermodynamical properties of silicon nitride polymorphs

  Akihide Kuwabara; Katsuyuki Matsunaga; Isao Tanaka

  PHYSICAL REVIEW B, Aug. 2008, Peer-reviewed

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• First-principles study of native defects and lanthanum impurities in NaTaO(3)

  Minseok Choi; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, Jul. 2008, Peer-reviewed

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• Defect energetics in ZnO: A hybrid Hartree-Fock density functional study

  Fumiyasu Oba; Atsushi Togo; Isao Tanaka; Joachim Paier; Georg Kresse

  PHYSICAL REVIEW B, Jun. 2008, Peer-reviewed

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• Transition pathway of C O2 crystals under high pressures

  Atsushi Togo; Fumiyasu Oba; Isao Tanaka

  Physical Review B - Condensed Matter and Materials Physics, 01 May 2008, Peer-reviewed

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• Transition pathway of CO2 crystals under high pressures

  Atsushi Togo; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, May 2008, Peer-reviewed

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• Effects of crystal structure on Co-L(2,3) x-ray absorption near-edge structure and electron-energy-loss near-edge structure of trivalent cobalt oxides

  Yu Kumagai; Hidekazu Ikeno; Fumiyasu Oba; Katsuyuki Matsunaga; Isao Tanaka

  PHYSICAL REVIEW B, Apr. 2008, Peer-reviewed

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• Preparation and acidic properties of nano-porous lanthanum phosphate by the addition of urea

  Hiroaki Onoda; Kazuya Taniguchi; Isao Tanaka

  MICROPOROUS AND MESOPOROUS MATERIALS, Mar. 2008, Peer-reviewed

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• First-principles-based phase diagram of the cubic BNC ternary system

  Koretaka Yuge; Atsuto Seko; Yukinori Koyama; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, Mar. 2008, Peer-reviewed

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• Structure and stability of a homologous series of tin oxides

  Atsuto Seko; Atsushi Togo; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW LETTERS, Feb. 2008, Peer-reviewed

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• Effects of Breit interaction on the L(2,3) x-ray absorption near-edge structures of 3d transition metals

  Hidekazu Ikeno; Isao Tanaka

  PHYSICAL REVIEW B, Feb. 2008, Peer-reviewed

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• First principles calculations for modern ceramic science and engineering

  Isao Tanaka; Fumiyasu Oba

  JOURNAL OF PHYSICS-CONDENSED MATTER, Feb. 2008, Peer-reviewed

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• Mechanochemical reforming of powder and acidic properties of copper cyclo-tetraphosphates

  Hiroaki Onoda; Ken-Ichi Okumoto; Isao Tanaka

  MATERIALS CHEMISTRY AND PHYSICS, Feb. 2008, Peer-reviewed

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• First-principles investigation of R2O3(ZnO)(3) (R = Al, Ga, and In) in homologous series of compounds

  Satoru Yoshioka; Kazuaki Toyoura; Fumiyasu Oba; Akihide Kuwabara; Katsuyuki Matsunaga; Isao Tanaka

  JOURNAL OF SOLID STATE CHEMISTRY, Jan. 2008, Peer-reviewed

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• Atomic structures of supersaturated ZnO-AL(2)O(3) solid solutions

  Satoru Yoshioka; Fumiyasu Oba; Rong Huang; Isao Tanaka; Teruyasu Mizoguchi; Tomoyuki Yamamoto

  JOURNAL OF APPLIED PHYSICS, Jan. 2008, Peer-reviewed

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• X-ray absorption near-edge structures of disordered Mg1-x Znx O solid solutions

  Teruyasu Mizoguchi; Atsuto Seko; Masato Yoshiya; Hisao Yoshida; Tomoko Yoshida; W. Y. Ching; Isao Tanaka

  Physical Review B - Condensed Matter and Materials Physics, 28 Nov. 2007, Peer-reviewed

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• X-ray absorption near-edge structures of disordered Mg1-xZnxO solid solutions

  Teruyasu Mizoguchi; Atsuto Seko; Masato Yoshiya; Hisao Yoshida; Tomoko Yoshida; W. Y. Ching; Isao Tanaka

  PHYSICAL REVIEW B, Nov. 2007, Peer-reviewed

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• First-principles calculation of solution energy of alkaline-earth metal elements to BaTiO3

  Moriwake Hiroki; Hirayama Tsukasa; Ikuhara Yuichi; Tanaka Isao

  JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS, Oct. 2007, Peer-reviewed

  
• Structures and energetics of Ga2O3 polymorphs

  S. Yoshioka; H. Hayashi; A. Kuwabara; F. Oba; K. Matsunaga; I. Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, Aug. 2007, Peer-reviewed

  
• Ordering and segregation of a Cu75Pt25(111) surface: A first-principles cluster expansion study

  Koretaka Yuge; Atsuto Seko; Akihide Kuwabara; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, Jul. 2007, Peer-reviewed

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• First-principles XANES simulations of spinel zinc ferrite with a disordered cation distribution

  Seisuke Nakashima; Koji Fujita; Katsuhisa Tanaka; Kazuyuki Hirao; Tomoyuki Yamamoto; Isao Tanaka

  PHYSICAL REVIEW B, May 2007, Peer-reviewed

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• Thermal annealing effect on magnetism and cation distribution in disordered ZnFe2O4 thin films deposited on glass substrates

  Seisuke Nakashima; Koji Fujita; Katsuhisa Tanaka; Kazuyuki Hirao; Tomoyuki Yamamoto; Isao Tanaka

  JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, Mar. 2007, Peer-reviewed

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• Microstructure of Mn-doped gamma-Ga2O3 epitaxial film on sapphire (0001) with room temperature ferromagnetism

  Rong Huang; Hiroyuki Hayashi; Fumiyasu Oba; Isao Tanaka

  JOURNAL OF APPLIED PHYSICS, Mar. 2007, Peer-reviewed

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• First-principles study of defect equilibria in lithium zinc nitride

  K. Toyoura; F. Oba; T. Ninomiya; A. Kuwabara; I. Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, Jan. 2007, Peer-reviewed

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• Awaking of ferromagnetism in GaMnN through control of Mn valence

  S. Sonoda; Isao Tanaka; Fumiyasu Oba; H. Ikeno; H. Hayashi; T. Yamamoto; Y. Yuba; Y. Akasaka; K. Yoshida; M. Aoki; M. Asari; T. Araki; Y. Nanishi; K. Kindo; H. Hori

  APPLIED PHYSICS LETTERS, Jan. 2007, Peer-reviewed

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• Free energy calculations of precipitate nucleation

  S.R. Nishitani; A. Seko; K. Yuge; I. Tanaka

  Materials Science Forum, 2007, Peer-reviewed

  
• First-principles study on segregation and surface structures of Pt-Rh alloys

  K. Yuge; A. Seko; Y. Koyama; A. Kuwabara; F. Oba; I. Tanaka

  ECS Transactions, 2007, Peer-reviewed

  
• Recent advances in new hard high-pressure nitrides

  Andreas Zerr; Ralf Riedel; Toshimori Sekine; J. Edward Lowther; Wai-Yim Ching; Isao Tanaka

  ADVANCED MATERIALS, Nov. 2006

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• First-principles calculations of native defects in tin monoxide

  A. Togo; F. Oba; I. Tanaka; K. Tatsumi

  PHYSICAL REVIEW B, Nov. 2006, Peer-reviewed

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• First-principles study of bulk ordering and surface segregation in Pt-Rh binary alloys

  Koretaka Yuge; Atsuto Seko; Akihide Kuwabara; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, Nov. 2006, Peer-reviewed

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• First-principles study of bulk ordering and surface segregation in Pt-Rh binary alloys

  Koretaka Yuge; Atsuto Seko; Akihide Kuwabara; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, Nov. 2006, Peer-reviewed

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• First principles calculations of the L_2,3-edge XANES spectra for V₂O₃

  M.G. Brik; K. Ogasawara; T. Ishii; H. Ikeno; I. Tanaka

  Radiat. Phys. Chem., Nov. 2006, Peer-reviewed

  
• Site-specific electronic structure analysis by channeling EELS and first-principles calculations

  Kazuyoshi Tatsumi; Shunsuke Muto; Yu Yamamoto; Hirokazu Ikeno; Satoru Yoshioka; Isao Tanaka

  ULTRAMICROSCOPY, Oct. 2006

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• Peak assignments of ELNES and XANES using overlap population diagrams

  Teruyasu Mizoguchi; Kazuyoshi Tatsumi; Isao Tanaka

  ULTRAMICROSCOPY, Oct. 2006

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• First-principles multi-electron calculations for L-2,L-3 ELNES/XANES of 3d transition metal monoxides

  Hidekazu Ikeno; Teruyasu Mizoguchi; Yukinori Koyama; Yu Kumagai; Isao Tanaka

  ULTRAMICROSCOPY, Oct. 2006

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• Room temperature ferromagnetism in Mn-doped gamma-Ga2O3 with spinel structure

  Hiroyuki Hayashi; Rong Huang; Hidekazu Ikeno; Fumiyasu Oba; Satoru Yoshioka; Isao Tanaka; Saki Sonoda

  APPLIED PHYSICS LETTERS, Oct. 2006, Peer-reviewed

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• Dilute Ga dopant in TiO2 by X-ray absorption near-edge structure

  Toshihiro Okajima; Tomoyuki Yamamoto; Masahiro Kunisu; Satoru Yoshioka; Isao Tanaka; Norimasa Umesaki

  JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS, Sep. 2006

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• Tuning surface properties of SnO2(101) by reduction

  Matthias Batzill; Khabibulakh Katsiev; James M. Burst; Yaroslav Losovyj; Wolfgang Bergermayer; Isao Tanaka; Ulrike Diebold

  JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, Sep. 2006

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• Arsenic removal by hydroxyapatite-based ceramics

  Atsushi Nakahira; Toshihiro Okajima; Tetsuo Honma; Satoshi Yoshioka; Isao Tanaka

  CHEMISTRY LETTERS, Aug. 2006

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• An XAFS study of the local structure of europium ion in crystallised borosilicate glass

  Toshihiro Okajima; Norimasa Umesaki; Akio Konishi; Tetsuo Jin; Isao Tanaka; Tetsuo Yazawa

  PHYSICS AND CHEMISTRY OF GLASSES-EUROPEAN JOURNAL OF GLASS SCIENCE AND TECHNOLOGY PART B, Aug. 2006

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• An XAFS study of the local structure of europium ion in crystallised borosilicate glass

  Toshihiro Okajima; Norimasa Umesaki; Akio Konishi; Tetsuo Jin; Isao Tanaka; Tetsuo Yazawa

  PHYSICS AND CHEMISTRY OF GLASSES-EUROPEAN JOURNAL OF GLASS SCIENCE AND TECHNOLOGY PART B, Aug. 2006, Peer-reviewed

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• Fully relativistic calculations of the L-2,L-3-edge XANES spectra for vanadium oxides

  MG Brik; K Ogasawara; H Ikeno; Tanaka, I

  EUROPEAN PHYSICAL JOURNAL B, Jun. 2006

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• Coexistence of Mn2+ and Mn3+ in ferromagnetic GaMnN

  S. Sonoda; I. Tanaka; H. Ikeno; T. Yamamoto; F. Oba; T. Araki; Y. Yamamoto; K. Suga; Y. Nanishi; Y. Akasaka; K. Kindo; H. Hori

  JOURNAL OF PHYSICS-CONDENSED MATTER, May 2006, Peer-reviewed

  
• Prediction of ground-state structures and order-disorder phase transitions in II-III spinel oxides: A combined cluster-expansion method and first-principles study

  Atsuto Seko; Koretaka Yuge; Fumiyasu Oba; Akihide Kuwabara; Isao Tanaka

  PHYSICAL REVIEW B, May 2006, Peer-reviewed

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• First-principles calculations of migration energy of lithium ions in halides and chalcogenides

  Kishida, I; Y Koyama; A Kuwabara; T Yamamoto; F Oba; Tanaka, I

  JOURNAL OF PHYSICAL CHEMISTRY B, Apr. 2006, Peer-reviewed

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• Calcia partition in phase-separated intergranular glass and interfaces in doped silicon nitride produced by hot isostatic pressing

  Hui Gu; Rowland M. Cannon; Isao Tanaka; Manfred Ruehle

  MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, Apr. 2006

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• First-principles study of cation disordering in MgAl2O4 spinel with cluster expansion and Monte Carlo simulation

  Atsuto Seko; Koretaka Yuge; Fumiyasu Oba; Akihide Kuwabara; Isao Tanaka; Tomoyuki Yamamoto

  PHYSICAL REVIEW B, Mar. 2006, Peer-reviewed

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• First-principles study of cation disordering in MgAl2O4 spinel with cluster expansion and Monte Carlo simulation

  A Seko; K Yuge; F Oba; A Kuwabara; Tanaka, I; T Yamamoto

  PHYSICAL REVIEW B, Mar. 2006, Peer-reviewed

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• Tuning the chemical functionality of a gas sensitive material: Water adsorption on SnO2(101)

  M Batzill; W Bergermayer; Tanaka, I; U Diebold

  SURFACE SCIENCE, Feb. 2006

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• Debye temperature and stiffness of carbon and boron nitride polymorphs from first principles calculations

  Tetsuya Tohei; Akihide Kuwabara; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, Feb. 2006, Peer-reviewed

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• Crystal field analysis of energy level structure of LaF3 : Eu3+

  MG Brik; Tanaka, I; T Ishii; K Ogasawara; A Nakamura; S Watanabe

  JOURNAL OF ALLOYS AND COMPOUNDS, Feb. 2006

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• Vacancy Effect on the Precipitate Nucleation in Fe-Cu Alloy

  S.R. Nishitani; A. Seko; K. Yuge; I. Tanaka

  Multi. Mater. Model.,, 2006, Peer-reviewed

  
• First-principles study of the effect of lattice vibrations on Cu nucleation free energy in Fe-Cu alloys

  K Yuge; A Seko; Tanaka, I; Nishitani, SR

  PHYSICAL REVIEW B, Nov. 2005

  
• Prediction of the X-ray absorption near edge structure of the new high-density phase of SiO2

  WY Ching; L Ouyang; P Rulis; Tanaka, I

  PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, Sep. 2005

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• Identification of Mg vacancy in MgO by positron lifetime measurements and first-principles calculations

  M. Mizuno; H. Araki; Y. Shirai; F. Oba; I. Tanaka

  Defect and Diffusion Forum, Sep. 2005, Peer-reviewed

  
• First-principles multielectron calculations of Ni L-2,L-3 NEXAFS and ELNES for LiNiO2 and related compounds

  H Ikeno; Tanaka, I; Y Koyama; T Mizoguchi; K Ogasawara

  PHYSICAL REVIEW B, Aug. 2005

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• XANES and ELNES in ceramic science

  Tanaka, I; T Mizoguchi; T Yamamoto

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Aug. 2005

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• Pressure-induced phase transition in ZnO and ZnO-MgO pseudobinary system: A first-principles lattice dynamics study

  A Seko; F Oba; A Kuwabara; Tanaka, I

  PHYSICAL REVIEW B, Jul. 2005, Peer-reviewed

  
• Core-hole effect on dipolar and quadrupolar transitions of SrTiO3 and BaTiO3 at TiK edge

  T Yamamoto; T Mizoguchi; I Tanaka

  PHYSICAL REVIEW B, Jun. 2005

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• Optical spectra of trivalent lanthanides in LiYF4 crystal (vol 178, pg 412, 2005)

  K Ogasawara; S Watanabe; H Toyoshima; T Ishii; MG Brik; H Ikeno; Tanaka, I

  JOURNAL OF SOLID STATE CHEMISTRY, Jun. 2005

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• Near-edge X-ray absorption fine structure of PdO at OK-edge

  M Mogi; Y Inoue; T Yamamoto; Tanaka, I; P Nachimuthu; RCC Perera

  JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS, Jun. 2005

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• Local geometry and energetics of hydrogen in orthorhombic SrZrO3

  Y Liu; M Yoshino; K Tatsumi; Tanaka, I; M Morinaga; H Adachi

  MATERIALS TRANSACTIONS, Jun. 2005

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• Electronic structure of lithium nickel oxides by electron energy loss spectroscopy

  Y Koyama; T Mizoguchi; H Ikeno; Tanaka, I

  JOURNAL OF PHYSICAL CHEMISTRY B, Jun. 2005

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• Core-hole effect on dipolar and quadrupolar transitions of SrTiO3 and BaTiO3 at TiK edge

  T Yamamoto; T Mizoguchi; Tanaka, I

  PHYSICAL REVIEW B, Jun. 2005, Peer-reviewed

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• Cubic and orthorhombic structures off aluminum hydride AlH3 predicted by a first-principles study

  XZ Ke; A Kuwabara; Tanaka, I

  PHYSICAL REVIEW B, May 2005, Peer-reviewed

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• Characterization of nanotextured AIN thin films by x-ray absorption near-edge structures

  T Suga; S Kameyama; S Yoshioka; T Yamamoto; Tanaka, I; T Mizoguchi

  APPLIED PHYSICS LETTERS, Apr. 2005

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• Effects of the spin-triplet states mixture and electron-phonon coupling in Y(3)Al(5)O(12): Cr(4+)

  MG Brik; NM Avram; CN Avram; Tanaka, I

  EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS, Mar. 2005

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• Local environment of Mn dopant in ZnO by near-edge x-ray absorption fine structure analysis

  M Kunisu; F Oba; H Ikeno; Tanaka, I; T Yamamoto

  APPLIED PHYSICS LETTERS, Mar. 2005, Peer-reviewed

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• Theoretical Calculation of ELNES Using First Principles Band Structure Methods

  MIZOGUCHI Teruyasu; TANAKA Isao

  X-RAYS, 24 Feb. 2005

  
• Optical spectra of trivalent lanthanides in LiYF4 crystal

  K Ogasawara; S Watanabe; H Toyoshima; T Ishii; MG Brik; H Ikeno; Tanaka, I

  JOURNAL OF SOLID STATE CHEMISTRY, Feb. 2005

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• Ab initio lattice dynamics and phase transformations of ZrO2

  A Kuwabara; T Tohei; T Yamamoto; Tanaka, I

  PHYSICAL REVIEW B, Feb. 2005

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• Distribution of solute atoms in β- and spinel Si 6-zAl zO zN 8-z by Al K-edge x-ray absorption near-edge structure

  Kazuyoshi Tatsumi; Teruyasu Mizoguchi; Satoru Yoshioka; Tomoyuki Yamamoto; Takeo Suga; Toshimori Sekine; Isao Tanaka

  Physical Review B - Condensed Matter and Materials Physics, Jan. 2005

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• Decomposition reactions for NaAlH 4, Na 3AlH 6, and NaH: First-principles study

  Xuezhi Ke; Isao Tanaka

  Physical Review B - Condensed Matter and Materials Physics, Jan. 2005

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• General rule for displacive phase transitions in perovskite compounds revisited by first principles calculations

  T Tohei; A Kuwabara; T Yamamoto; F Oba; Tanaka, I

  PHYSICAL REVIEW LETTERS, Jan. 2005, Peer-reviewed

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• Electron-phonon interaction in the V2+: CsCaF3 laser crystal: geometry of the [VF6](4-) complex in the T-4(2g) excited state

  CN Avram; MG Brik; Tanaka, I; NM Avram

  PHYSICA B-CONDENSED MATTER, Jan. 2005

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• Cubic and orthorhombic structures of aluminum hydride Al H3 predicted by a first-principles study

  Xuezhi Ke; Akihide Kuwabara; Isao Tanaka

  Physical Review B - Condensed Matter and Materials Physics, 2005

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• Identification of Mg vacancy in MgO by positron lifetime measurements and first-principles calculations

  M Mizuno; H Araki; Y Shirai; F Oba; Tanaka, I

  DEFECTS AND DIFFUSION IN CERAMICS: AN ANNUAL RETROSPECTIVE VII, 2005

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• Distribution of solute atoms in beta- and spinel Si(6-)zAl(z)O(z)N(8-z) by AlK-edge x-ray absorption near-edge structure

  K Tatsumi; T Mizoguchi; S Yoshioka; T Yamamoto; T Suga; T Sekine; Tanaka, I

  PHYSICAL REVIEW B, Jan. 2005, Peer-reviewed

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• Coordination and Interface Analysis of Atomic-Layer-Deposition Al_2O_3 on Si(001) Using EELS

  MIZOGUCHI Teruyasu; KIMOTO Koji; TANAKA Isao

  Materia Japan, 20 Dec. 2004

  
• First principles calculation of free energy on precipitate nucleation

  A Seko; Nishitani, SR; Tanaka, I; H Adachi

  JOURNAL OF THE JAPAN INSTITUTE OF METALS, Dec. 2004

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• Electron-phonon coupling and Jahn-Teller effect in KMgF3 : Cr3+

  MG Brik; NM Avram; Tanaka, I

  PHYSICA STATUS SOLIDI B-BASIC RESEARCH, Nov. 2004

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• Valence state of Ti in conductive nanowires in sapphire

  T Mizoguchi; M Sakurai; A Nakamura; K Matsunaga; I Tanaka; T Yamamoto; Y Ikuhara

  PHYSICAL REVIEW B, Oct. 2004

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• Chemical bonding of Ag ions in AgI-based superionic conducting glasses

  Y Kowada; M Okamoto; Tanaka, I; H Adachi; M Tatsumisago; T Minami

  JOURNAL OF NON-CRYSTALLINE SOLIDS, Oct. 2004

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• Valence state of Ti in conductive nanowires in sapphire

  Teruyasu Mizoguchi; Masaki Sakurai; Atsutomo Nakamura; Katsuyuki Matsunaga; Isao Tanaka; Takahisa Yamamoto; Yuichi Ikuhara

  Physical Review B - Condensed Matter and Materials Physics, Oct. 2004, Peer-reviewed

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• Valence state of Ti in conductive nanowires in sapphire

  T Mizoguchi; M Sakurai; A Nakamura; K Matsunaga; Tanaka, I; T Yamamoto; Y Ikuhara

  PHYSICAL REVIEW B, Oct. 2004, Peer-reviewed

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• Crystal field analysis of energy level structure of LiAlO2 : Cr4+ and LiGaO2 : Cr4+

  MG Brik; CN Avram; Tanaka, I

  PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, Sep. 2004

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• Proton transfer mechanism in solid CsHSO4 by first-principles study

  XZ Ke; Tanaka, I

  SOLID STATE IONICS, Aug. 2004

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• X-ray absorption near edge structures of silicon nitride thin film by pulsed laser deposition

  T Suga; T Mizoguchi; M Kunisu; K Tatsumi; T Yamamoto; Tanaka, I; T Sekine

  MATERIALS TRANSACTIONS, Jul. 2004

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• First-principles calculation of L-3 X-ray absorption near edge structures (XANES) and electron energy loss near edge structures (ELNES) of GaN and InN polymorphs

  T Mizoguchi; T Yamamoto; T Suga; M Kunisu; Tanaka, I; H Adachi

  MATERIALS TRANSACTIONS, Jul. 2004

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• First principles calculation of defect formation energies in Sr- and Mg-doped LaGaO3

  A Kuwabara; Tanaka, I

  JOURNAL OF PHYSICAL CHEMISTRY B, Jul. 2004

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• First-principles calculations of ELNES and XANES of selected wide-gap materials: Dependence on crystal structure and orientation

  T Mizoguchi; Tanaka, I; S Yoshioka; M Kunisu; T Yamamoto; WY Ching

  PHYSICAL REVIEW B, Jul. 2004

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• Free-energy calculation of precipitate nucleation in an Fe-Cu-Ni alloy

  A Seko; N Odagaki; Nishitani, SR; Tanaka, I; H Adachi

  MATERIALS TRANSACTIONS, Jul. 2004

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• First principles study of core-hole effect on fluorine K-edge X-ray absorption spectra of MgF2 and ZnF2

  T Yamamoto; T Mizoguchi; K Tatsumi; Tanaka, I; H Adachi; Y Muramatsu; EM Gullikson; RCC Perera

  MATERIALS TRANSACTIONS, Jul. 2004

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• Energy level structure of LiYF4 : Dy3+: Crystal field analysis

  MG Brik; T Ishii; AM Tkachuk; Tanaka, I

  MATERIALS TRANSACTIONS, Jul. 2004

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• Special issue on grain boundaries, interfaces, defects and localized quantum structures in ceramics

  Tanaka, I; Y Ikuhara

  MATERIALS TRANSACTIONS, Jul. 2004

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• Theoretical investigation of AlK-edge X-ray absorption spectra of Al, AlN and Al2O3

  M Mogi; T Yamamoto; T Mizoguchi; K Tatsumi; S Yoshioka; S Kameyama; Tanaka, I; H Adachi

  MATERIALS TRANSACTIONS, Jul. 2004

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• Electronic states of sulfur doped TiO2 by first principles calculations

  T Yamamoto; F Yamashita; Tanaka, I; E Matsubara; A Muramatsu

  MATERIALS TRANSACTIONS, Jul. 2004, Peer-reviewed

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• Atomic and electronic structures of hydrated polymolybdates by first principles calculations

  A Togo; Tanaka, I; K Murase; T Yamamoto; T Suga; E Matsubara

  MATERIALS TRANSACTIONS, Jul. 2004, Peer-reviewed

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• First-principles calculations of ELNES and XANES of selected wide-gap materials: Dependence on crystal structure and orientation

  Teruyasu Mizoguchi; Isao Tanaka; Satoru Yoshioka; Masahiro Kunisu; Tomoyuki Yamamoto; W. Y. Ching

  Physical Review B - Condensed Matter and Materials Physics, Jul. 2004, Peer-reviewed

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• The formation of a rock-salt type ZnO thin film by low-level alloying with MgO

  M Kunisu; Tanaka, I; Y Yamamoto; T Suga; T Mizoguchi

  JOURNAL OF PHYSICS-CONDENSED MATTER, Jun. 2004

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• First-principles calculation on free energy of precipitate nucleation

  A Seko; Nishitani, SR; Tanaka, I; H Adachi; EF Fujita

  CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, Jun. 2004

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• Theoretical study of vibrational contribution on cluster formation in a binary alloy system

  K Yuge; Nishitani, SR; Tanaka, I

  CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, Jun. 2004

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• Calculations of complete 4f(n) and 4f(n-1)5d(1) energy level schemes of free trivalent rare-earth ions

  K Ogasawara; S Watanabe; Y Sakai; H Toyoshima; T Ishii; MG Brik; Tanaka, I

  JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS, May 2004

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• First principles calculation of Fe L-2,L-3-edge X-ray absorption near edge structures of iron oxides

  H Ikeno; Tanaka, I; L Miyamae; T Mishima; H Adachi; K Ogasawara

  MATERIALS TRANSACTIONS, May 2004

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• Atomistic mechanism of proton conduction in solid CsHSO4 by a first-principles study

  XZ Ke; I Tanaka

  PHYSICAL REVIEW B, Apr. 2004

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• Fine structure analysis of SiKL2,3V Auger spectra of Si, SiC and SiO2

  T Yamamoto; C Sato; M Mogi; Tanaka, I; H Adachi

  JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, Mar. 2004

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• Optical spectra of trivalent lanthanides in LIYF4 crystal.

  MG Brik; K Ogasawara; S Watanabe; H Toyoshima; I Tanaka; T Ishii

  ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Mar. 2004

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• Reduced SnO2 surfaces by first-principles calculations

  W Bergermayer; Tanaka, I

  APPLIED PHYSICS LETTERS, Feb. 2004

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• Solid-state chemistry, and electrochemistry of LiCo1/3Ni1/3Mn1/3O2 for advanced lithium-ion batteries - I. First-principles calculation on the crystal and electronic structures

  Y Koyama; N Yabuuchi; Tanaka, I; H Adachi; T Ohzuku

  JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2004

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• Systematic research on insertion materials based on superlattice models in a phase triangle of LiCoO2-LiNiO2-LiMnO2. I. First-principles calculation on electronic and crystal structures, phase stability and new LiNi1/2Mn1/2O2 material

  Y Koyama; Y Makimura; Tanaka, I; H Adachi; T Ohzuku

  JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2004

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• Positron annihilation study of formation of Mg vacancy in MgO

  M Mizuno; Y Inoue; K Sugita; H Araki; Y Shirai; T Mizoguchi; Tanaka, I; H Adachi

  POSITRON ANNIHILATION, ICPA-13, PROCEEDINGS, 2004

  
• High temperature thermistor material design of spinel type MgCr 2O4 by first principles calculations and experiments

  Hiroki Moriwake; Isao Tanaka; Hirohiko Adachi

  Funtai Oyobi Fummatsu Yakin/Journal of the Japan Society of Powder and Powder Metallurgy, 2004, Peer-reviewed

  
• Theoretical and experimental study on anisotropy of XANES/ELNES of wide-gap materials

  Mizoguchi T; Kunisu M; Tanaka I; Nakamura A; Matsunaga K; Yamamoto T; Ikuhara Y; Ching W.Y

  Microscopy and Microanalysis, 2004, Peer-reviewed

  
• Coordination and interface analysis of atomic-layer-deposition Al2O3 on Si(001) using energy-loss near-edge structures

  K Kimoto; Y Matsui; T Nabatame; T Yasuda; T Mizoguchi; Tanaka, I; A Toriumi

  APPLIED PHYSICS LETTERS, Nov. 2003

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• Elastic constants and chemical bonding of LaNi5 and LaNi5H7 by first principles calculations

  K Tatsumi; Tanaka, I; K Tanaka; H Inui; M Yamaguchi; H Adachi; M Mizuno

  JOURNAL OF PHYSICS-CONDENSED MATTER, Oct. 2003

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• Identification of ultradilute dopants in ceramics

  Tanaka, I; T Mizoguchi; M Matsui; S Yoshioka; H Adachi; T Yamamoto; T Okajima; M Umesaki; WY Ching; Y Inoue; M Mizuno; H Araki; Y Shirai

  NATURE MATERIALS, Aug. 2003

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• Crystal and electronic structures of superstructural Li1-x[Co1/3Ni1/3Mn1/3]O-2 (0 <= x <= 1)

  Y Koyama; Tanaka, I; H Adachi; Y Makimura; T Ohzuku

  JOURNAL OF POWER SOURCES, Jun. 2003

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• First principles calculations of the formation energy of Cr/Al vacancies in spinel-type MgCr2O4 and MgAl2O4

  H Moriwake; Tanaka, I; F Oba; Y Koyama; H Adachi

  INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Jan. 2003

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• First principles calculations of formation energies and electronic structures of defects in oxygen-deficient LiMn2O4

  Y Koyama; Tanaka, I; H Adachi; Y Uchimoto; M Wakihara

  JOURNAL OF THE ELECTROCHEMICAL SOCIETY, Jan. 2003

  
• Local geometries and energetics of hydrogen in acceptor-doped SrZrO3

  M Yoshino; Y Liu; K Tatsumi; Tanaka, I; M Morinaga; H Adachi

  SOLID STATE IONICS, 2003

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• Electronic structures and electrode potentials of layered lithium insertion electrodes by the first principles calculation

  Y Koyama; Tanaka, I; H Adachi

  ADVANCES IN QUANTUM CHEMISTRY, VOL 42, 2003

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• Electronic states associated with bond disorder at ZnO grain boundaries

  F Oba; Tanaka, I; H Adachi

  ADVANCES IN QUANTUM CHEMISTRY, VOL 42, 2003, Peer-reviewed

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• The study of Al-L-23 ELNES with resolution-enhancement software and first-principles calculation

  K Kimoto; K Ishizuka; T Mizoguchi; Tanaka, I; Y Matsui

  JOURNAL OF ELECTRON MICROSCOPY, 2003

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• First-principles calculations of silicon nitrides and SiAlONs

  Tanaka, I; K Tatsumi; F Oba; H Adachi

  ADVANCED CERAMICS AND COMPOSITES, 2003

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• Theoretical prediction of ELNES/XANES and chemical bondings of AlN polytypes

  T Mizoguchi; Tanaka, I; M Kunisu; M Yoshiya; H Adachi; WY Ching

  MICRON, 2003

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• Atomic structures and bondings of β- and spinel-Si6-zAlzOzN8-z by first-principles calculations

  Kazuyoshi Tatsumi; Isao Tanaka; Hirohiko Adachi; Masato Yoshiya

  Physical Review B - Condensed Matter and Materials Physics, 15 Oct. 2002, Peer-reviewed

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• Atomic structures and bondings of beta- and spinel-Si6-zAlzOzN8-z by first-principles calculations

  K Tatsumi; I Tanaka; H Adachi; M Yoshiya

  PHYSICAL REVIEW B, Oct. 2002

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• Atomic structures and bondings of beta- and spinel-Si6-zAlzOzN8-z by first-principles calculations

  Tatsumi K; Tanaka I; Adachi H; Yoshiya M

  PHYSICAL REVIEW B, Oct. 2002, Peer-reviewed

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• Energetics of hydrogen states in SrZrO3

  M Yoshino; Y Liu; K Tatsumi; Tanaka, I; M Morinaga; H Adachi

  MATERIALS TRANSACTIONS, Jul. 2002

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• Theoretical solution energy of alkaline earth ions in lanthanum chromites

  H Moriwake; Tanaka, I; K Tatsumi; Y Koyama; H Adachi; H Yakabe; Yasuda, I

  MATERIALS TRANSACTIONS, Jul. 2002

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• Evaluation of migration energy of lithium ions in chalcogenides and halides by first principles calculation

  Y Koyama; Y Yamada; Tanaka, I; Nishitani, SR; H Adachi; M Murayama; R Kanno

  MATERIALS TRANSACTIONS, Jul. 2002

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• First-principles calculations of Co impurities and native defects in ZnO

  F Oba; T Yamamoto; Y Ikuhara; Tanaka, I; H Adachi

  MATERIALS TRANSACTIONS, Jul. 2002, Peer-reviewed

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• First-principles calculation of transition-metal L-2,L-3-edge electron-energy-loss near-edge structures based on direct diagonalization of the many-electron Hamiltonian

  K Ogasawara; T Miyamae; Tanaka, I; H Adachi

  MATERIALS TRANSACTIONS, Jul. 2002

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• Theoretical formation energy of oxygen-vacancies in oxides

  Tanaka, I; F Oba; K Tatsumi; M Kunisu; M Nakano; H Adachi

  MATERIALS TRANSACTIONS, Jul. 2002, Peer-reviewed

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• Special issue on grain boundaries, interfaces, defects and localized quantum structures in ceramics - Preface

  Y Ikuhara; Tanaka, I

  MATERIALS TRANSACTIONS, Jul. 2002

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• Hardness of cubic silicon nitride

  Tanaka, I; F Oba; T Sekine; E Ito; A Kubo; K Tatsumi; H Adachi; T Yamamoto

  JOURNAL OF MATERIALS RESEARCH, Apr. 2002, Peer-reviewed

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• Formation energy of Cr/Al vacancies in spinel MgCr2O4 and MgAl2O4 by first-principles calculations

  H Moriwake; Tanaka, I; F Oba; Y Koyama; H Adachi

  PHYSICAL REVIEW B, Apr. 2002, Peer-reviewed

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• Theoretical prediction of post-spinel phases of silicon nitride

  K Tatsumi; Tanaka, I; H Adachi; F Oba; T Sekine

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Jan. 2002, Peer-reviewed

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• Structure and properties of advanced nitrides

  WY Ching; Tanaka, I

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Jan. 2002

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• Solubility of Si(3)N(4) in liquid SiO(2)

  H Gu; RM Cannon; HJ Seifert; MJ Hoffmann; Tanaka, I

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Jan. 2002

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• First-principles calculations of anion vacancies in oxides and nitrides

  Tanaka, I; K Tatsumi; M Nakano; H Adachi; F Oba

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Jan. 2002, Peer-reviewed

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• Effective doping in cubic Si3N4 and Ge3N4: A first-principles study

  F Oba; K Tatsumi; Tanaka, I; H Adachi

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Jan. 2002, Peer-reviewed

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• Theoretical prediction of the structure and properties of cubic spinel nitrides

  WY Ching; SD Mo; LZ Ouyang; P Rulis; Tanaka, I; M Yoshiya

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Jan. 2002

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• Theoretical study on the chemistry of intergranular glassy film in Si(3)N(4)-SiO(2) ceramics

  M Yoshiya; K Tatsumi; Tanaka, I; H Adachi

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Jan. 2002

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• First principles calculation of ELNES by LCAO methods

  Tanaka, I; T Mizoguchi; M Yoshiya; K Ogasawara; H Adachi; SD Mo; WY Ching

  JOURNAL OF ELECTRON MICROSCOPY, 2002

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• Formation energy of Cr/Al vacancies in spinel (formula presented) and (formula presented) by first-principles calculations

  Hiroki Moriwake; Isao Tanaka; Fumiyasu Oba; Yukinori Koyama; Hirohiko Adachi

  Physical Review B - Condensed Matter and Materials Physics, 2002, Peer-reviewed

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• Atomic structures and bondings of β- and spinel-(formula presented) by first-principles calculations

  Kazuyoshi Tatsumi; Isao Tanaka; Hirohiko Adachi; Masato Yoshiya

  Physical Review B - Condensed Matter and Materials Physics, 2002, Peer-reviewed

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• Chemical bonding analysis of AIN polytypes by ELNES

  Mizoguchi T; Kunisu M; Yoshiya M; Tanaka I; Adachi H; Rulis P; Ching W.Y

  Microscopy and Microanalysis, 2002, Peer-reviewed

  
• Atomic structures and energetics of LaNi5-H solid solution and hydrides

  K Tatsumi; I Tanaka; H Inui; K Tanaka; M Yamaguchi; H Adachi

  PHYSICAL REVIEW B, Nov. 2001

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• Atomic structures and energetics of LaNi5-H solid solution and hydrides

  K Tatsumi; Tanaka, I; H Inui; K Tanaka; M Yamaguchi; H Adachi

  PHYSICAL REVIEW B, Nov. 2001, Peer-reviewed

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• Energetics of native defects in ZnO (vol 90, pg 824, 2001)

  F Oba; Nishitani, SR; S Isotani; H Adachi; Tanaka, I

  JOURNAL OF APPLIED PHYSICS, Oct. 2001, Peer-reviewed

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• Erratum: Energetics of native defects in ZnO (Journal of Applied Physics (2001) 90, (824))

  Fumiyasu Oba; Shigeto R. Nishitani; Seiji Isotani; Hirohiko Adachi; Isao Tanaka

  Journal of Applied Physics, 01 Oct. 2001, Peer-reviewed

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• Relativistic cluster calculation of ligand-field multiplet effects on cation L-2,L-3 x-ray-absorption edges of SrTiO3, NiO, and CaF2

  K Ogasawara; T Iwata; Y Koyama; T Ishii; I Tanaka; H Adachi

  PHYSICAL REVIEW B, Sep. 2001

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• Relativistic cluster calculation of ligand-field multiplet effects on cation L-2,L-3 x-ray-absorption edges of SrTiO3, NiO, and CaF2

  K Ogasawara; T Iwata; Y Koyama; T Ishii; Tanaka, I; H Adachi

  PHYSICAL REVIEW B, Sep. 2001, Peer-reviewed

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• Intergranular glassy films in ceramics

  I. Tanaka

  Journal of the Ceramic Society of Japan, 2001

  
• Theoretical calculation for the multiplet structure of the tetrahedrally coordinated Cr4+ in Y3Al5O12

  T Ishii; K Ogasawara; H Adachi; Tanaka, I

  JOURNAL OF CHEMICAL PHYSICS, Jul. 2001

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• Energetics of native defects in ZnO

  F Oba; Nishitani, SR; S Isotani; H Adachi; Tanaka, I

  JOURNAL OF APPLIED PHYSICS, Jul. 2001, Peer-reviewed

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• Defect and electronic structure of TiSi2 thin films produced by co-sputterings. Part II: Chemical bonding and electron energy-loss near-edge structures

  T Mizoguchi; Tanaka, I; M Mizuno; H Adachi; T Hashimoto; H Inui; M Yamaguchi

  ACTA MATERIALIA, Jul. 2001

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• Theoretical calculation for the multiplet structures of tetrahedrally coordinated Cr4+ in silicate crystals

  T Ishii; K Fujimura; K Ogasawara; H Adachi; Tanaka, I

  JOURNAL OF PHYSICS-CONDENSED MATTER, Jun. 2001

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• Multiplet structures of tetrahedrally coordinated Cr4+ and Cr5+ in Y3Al5O12

  T Ishii; K Ogasawara; H Adachi; Tanaka, I

  APPLIED PHYSICS LETTERS, Apr. 2001

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• Electron energy loss near-edge structures of cubic Si3N4

  Tanaka, I; T Mizoguchi; T Sekine; H He; K Kimoto; T Kobayashi; SD Mo; WY Ching

  APPLIED PHYSICS LETTERS, Apr. 2001

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• Cubic silicon nitride with spinel structure: A novel material

  TANAKA Isao; OBA Fumiyasu; YOSHIYA Masato; TATSUMI Kazuyoshi; CHING Wai Yim

  OYOBUTURI, Apr. 2001, Peer-reviewed

  
• Prediction of spinel structure and properties of single and double nitrides

  W.Y. Ching; S.D. Mo; I. Tanaka; M. Yoshiya

  Phys. Rev. B, Apr. 2001, Peer-reviewed

  
• n- and p-type dopants for cubic silicon nitride

  F Oba; K Tatsumi; H Adachi; Tanaka, I

  APPLIED PHYSICS LETTERS, Mar. 2001, Peer-reviewed

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• Electron-energy-loss near edge structures of six-fold-coordinated Zn in MgO

  T Mizoguchi; M Yoshiya; J Li; F Oba; Tanaka, I; H Adachi

  ULTRAMICROSCOPY, Feb. 2001, Peer-reviewed

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• Estimation of coordination complex structure of O-Cu(I)-2-aminopyrimidine on a copper surface using X-ray photoelectron spectroscopy

  Q Miao; XR Yie; XQ Xin; H Adachi; Tanaka, I

  APPLIED SURFACE SCIENCE, Feb. 2001

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• Ab initiostudy of symmetric tilt boundaries in ZnO

  Fumiyasu Oba; Shigeto R. Nishitani; Hirohiko Adachi; Isao Tanaka; Masanori Kohyama; Shingo Tanaka

  Physical Review B, 09 Jan. 2001, Peer-reviewed

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• Ab initio study of symmetric tilt boundaries in ZnO

  F Oba; Nishitani, SR; H Adachi; Tanaka, I; M Kohyama; S Tanaka

  PHYSICAL REVIEW B, Jan. 2001, Peer-reviewed

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• Defect and electronic structures in TiSi2 thin films produced by co-sputtering part 1: Defect analysis by transmission electron microscopy

  H Inui; T Hashimoto; K Tanaka; Tanaka, I; T Mizoguchi; H Adachi; M Yamaguchi

  ACTA MATERIALIA, Jan. 2001

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• First-principles calculation for multiplet structure of emerald

  T Ishii; K Ogasawara; Y Ito; Tanaka, I; H Adachi

  ADVANCES IN QUANTUM CHEMISTRY, VOL 37, 2001

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• The effect of intrinsic trigonal distortion on the multiplet structures of ruby and emerald

  Y Ito; Tanaka, I; T Ishii; K Ogasawara; H Adachi

  ADVANCES IN QUANTUM CHEMISTRY, VOL 37, 2001

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• Relativistic cluster calculation of ligand-field multiplet effects on cation (formula presented) x-ray-absorption edges of (formula presented) NiO, and (formula presented)

  Kazuyoshi Ogasawara; Takahiro Iwata; Yukinori Koyama; Takugo Ishii; Isao Tanaka; Hirohiko Adachi

  Physical Review B - Condensed Matter and Materials Physics, 2001, Peer-reviewed

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• Relativistic multiplet calculations of absorption spectra for rare-earth-based solid-state laser materials

  K Fujimura; T Tohei; T Ishii; K Ogasawara; Tanaka, I; H Adachi

  PRICM 4: FORTH PACIFIC RIM INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS AND PROCESSING, VOLS I AND II, 2001, Peer-reviewed

  
• First-principles calculation of multiplet effects in transition-metal L-2,L-3-edge ELNES

  K Ogasawara; T Iwata; T Ishii; Tanaka, I; H Adachi

  PRICM 4: FORTH PACIFIC RIM INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS AND PROCESSING, VOLS I AND II, 2001, Peer-reviewed

  
• First principles calculations of cathode materials for lithium batteries

  Y Koyama; Tanaka, I; H Adachi

  PRICM 4: FORTH PACIFIC RIM INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS AND PROCESSING, VOLS I AND II, 2001, Peer-reviewed

  
• First-principles study of LaNi5-H solid solutions and its hydrides

  K Tatsumi; Tanaka, I; H Inui; K Tanaka; M Yamaguchi; H Adachi

  PRICM 4: FORTH PACIFIC RIM INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS AND PROCESSING, VOLS I AND II, 2001, Peer-reviewed

  
• Energetical role of modeled intergranular glassy film in Si(3)N(4)-SiO(2) ceramics

  M Yoshiya; Tanaka, I; H Adachi

  ACTA MATERIALIA, Dec. 2000

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• New fluoride cathodes for rechargeable lithium batteries

  Y Koyama; Tanaka, I; H Adachi

  JOURNAL OF THE ELECTROCHEMICAL SOCIETY, Oct. 2000

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• Energetics and electronic structure of point defects associated with oxygen excess at a tilt boundary of ZnO

  F Oba; H Adachi; Tanaka, I

  JOURNAL OF MATERIALS RESEARCH, Oct. 2000, Peer-reviewed

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• Chemical bondings around intercalated Cr and Fe atoms in TiS2

  YS Kim; J Li; Tanaka, I; Y Koyama; H Adachi

  MATERIALS TRANSACTIONS JIM, Aug. 2000

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• Geometry and electronic structure of [0001]/((1)over-bar(2)over-bar30) Sigma=7 symmetric tilt boundary in ZnO

  F Oba; Tanaka, I; Nishitani, SR; H Adachi; B Slater; DH Gay

  PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, Jul. 2000, Peer-reviewed

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• Theoretical calculation of B-K ELNES (electron energy loss near edge structure) from 3d transition metal-boron systems

  K Tatsumi; T Mizoguchi; M Yoshiya; Tanaka, I; H Adachi

  JOURNAL OF THE JAPAN INSTITUTE OF METALS, Jul. 2000

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• Prediction of the new spinel phase of Ti3N4, and SiTi2N4 and the metal-insulator transition

  WY Ching; SD Mo; L Ouyang; Tanaka, I; M Yoshiya

  PHYSICAL REVIEW B, Apr. 2000, Peer-reviewed

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• 3d遷移金属-ホウ素系におけるB - K励起端ELNES（電子線エネルギー損失分光励起端近傍微細構造）の理論計算

  巽一厳; 溝口照康; 吉矢真人; 田中功; 足立裕彦

  日本金属学会誌, Apr. 2000, Peer-reviewed

  
• Intergranular glassy film in Si3N4-SiO2 ceramics - morphology, chemistry, atomic structure and energetics

  I. Tanaka; M. Yoshiya; S.R. Nishitani; H. Adachi

  Ceram. Trans., Apr. 2000, Peer-reviewed

  
• Molecular dynamics study on intergranular glassy film in High-purity Si3N4-SiO2 ceramics

  M. Yoshiya; K. Tatsumi; I. Tanaka; H. Adachi

  Ceram. Trans., Apr. 2000, Peer-reviewed

  
• Core-hole effects on theoretical ELNES/NEXAFS of MgO

  T. Mizoguchi; I. Tanaka; M. Yoshiya; F. Oba; K. Ogasawara; H. Adachi

  Phys. Rev. B, Apr. 2000, Peer-reviewed

  
• Electronic structure and chemical bondings of MgCr2-xO4

  H Moriwake; Tanaka, I; F Oba; H Adachi

  JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, Feb. 2000, Peer-reviewed

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• Mechanism of electrical conductivity of transparent InGaZnO4

  M Orita; H Tanji; M Mizuno; H Adachi; Tanaka, I

  PHYSICAL REVIEW B, Jan. 2000

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• Core-hole effects on theoretical electron-energy-loss near-edge structure and near edge x-ray absorption fine structure of MgO

  T Mizoguchi; Tanaka, I; M Yoshiya; F Oba; K Ogasawara; H Adachi

  PHYSICAL REVIEW B, Jan. 2000, Peer-reviewed

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• Calculation of multiplet structures of Cr3+ and V3+ in alpha-Al2O3 based on a hybrid method of density-functional theory and the configuration interaction

  K Ogasawara; T Ishii; Tanaka, I; H Adachi

  PHYSICAL REVIEW B, Jan. 2000

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• Prediction of the new spinel phase of and and the metal-insulator transition

  W. Ching; Shang-Di Mo; Lizhi Ouyang; Isao Tanaka

  Physical Review B - Condensed Matter and Materials Physics, 2000

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• Electronic structure of silica glass under strong electric field

  Y Makino; Tanaka, I; K Kawamura; H Adachi; K Hirao

  PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT, 2000

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• Atomic structure and chemical bondings of intergranular glassy film in Si(3)N(4)-SiO(2) ceramics

  M Yoshiya; Tanaka, I; H Adachi

  ENGINEERING CERAMICS: MULTIFUNCTIONAL PROPERTIES - NEW PERSPECTIVES, 2000

  
• First-principle calculation of peak energies and intensities in optical absorption spectrum of Cr4+: Ca2GeO4

  T Ishii; K Ogasawara; Tanaka, I; H Adachi

  ADVANCED SOLID STATE LASERS, PROCEEDINGS, 2000, Peer-reviewed

  
• Valence band structure of ZnO (10(1)over-bar0) surface by cluster calculation

  K Matsunaga; F Oba; Tanaka, I; H Adachi

  JOURNAL OF ELECTROCERAMICS, Dec. 1999, Peer-reviewed

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• Interpretation of Si-L-2,L-3 edge electron energy loss near edge structures (ELNES) from intergranular glassy film of Si3N4 ceramics

  M Yoshiya; H Adachi; Tanaka, I

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Nov. 1999

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• First-principles calculations of electron-energy-loss near-edge structure and near-edge x-ray-absorption fine structure of BN polytypes using model clusters

  Tanaka I; Araki H; Yoshiya M; Mizoguchi T; Ogasawara K; Adachi H

  PHYSICAL REVIEW B, Aug. 1999, Peer-reviewed

  
• Calculation of multiplet structure of ruby using explicit effective Hamiltonian

  K Ogasawara; T Ishii; Tanaka, I; H Adachi

  MATERIALS TRANSACTIONS JIM, May 1999, Peer-reviewed

  
• Theoretical calculation for multiplet structure of chromium ion pair in ruby

  T Ishii; K Ogasawara; Tanaka, I; H Adachi

  MATERIALS TRANSACTIONS JIM, May 1999, Peer-reviewed

  
• Analysis of peak shift analysis in O-K edge ELNES of metal oxides

  M. Nakano; T. Mizoguchi; M. Yoshiya; I. Tanaka; H. Adachi

  Bull. Soc. DV-Xα, Apr. 1999, Peer-reviewed

  
• First-principles calculations of ELNES/NEXAFS of BN polytypes using model clusters

  I. Tanaka; H. Araki; M. Yoshiya; T. Mizoguchi; K. Ogasawara; H. Adachi

  Phys. Rev B, Apr. 1999, Peer-reviewed

  
• First principles calculations of chemical shifts in ELNES/NEXAFS of titanium oxides

  M. Yoshiya; I. Tanaka; K. Kaneko; H. Adachi

  J. Phys.: Condens. Matter, Apr. 1999, Peer-reviewed

  
• Chemical bonding of oxygen in intergranular amorphous layers in high-purity beta-SiC ceramics

  Kaneko K; Yoshiya M; Tanaka I; Tsurekawa S

  ACTA MATERIALIA, Mar. 1999, Peer-reviewed

  
• Chemical bonding of intergranular amorphous layers in high-purity beta-SiC ceramics

  K Kaneko; J Yuan; M Yoshiya; Tanaka, I

  ELECTRON MICROSCOPY AND ANALYSIS 1999, 1999

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• Chemical bonding in titanium-metalloid compounds

  Masataka Mizuno; Isao Tanaka; Hirohiko Adachi

  Physical Review B - Condensed Matter and Materials Physics, 1999, Peer-reviewed

  
• Electron structure of amorphous SiO₂ under strong electric field using DV-Xα

  Y. Makino; K. Hirao; K. Kawamura; I. Tanaka; H. Adachi

  Journal of Non-Crystalline Solids, 1999, Peer-reviewed

  
• First principles study on factors determining battery voltages of LiMO₂ (M = Ti-Ni)

  Y. Koyama; I. Tanaka; Y.-S. Kim; S.R. Nishitani; H. Adachi

  Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, 1999, Peer-reviewed

  
• Interesting Physical Properties of the New Spinel Phase of Si₃N₄ and C₃N₄

  S.-D. Mo; L. Ouyang; W.Y. Ching; I. Tanaka; Y. Koyama; R. Riedel

  Physical Review Letters, 1999, Peer-reviewed

  
• Changes in chemical bondings by Li deintercalation in LiMO₂ (M = Cr, V, Co and Ni)

  Y. Koyama; Y.-S. Kim; I. Tanaka; H. Adachi

  Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, 1999, Peer-reviewed

  
• Theoretical calculation of oxygen K electron-energy-loss near-edge structures of Si-doped MgO

  Mizoguchi T; Tanaka I; Yoshiya M; Oba F; Adachi H

  Journal of Physics-Condensed Matter, 1999, Peer-reviewed

  
• Effect of oxidation on chemical bonding around 3d transition-metal impurities in ZnO

  Oba F; Tanaka I; Adachi H

  Japanese Journal of Applied Physics Part 1-Regular Papers Short Notes & Review Papers, 1999, Peer-reviewed

  
• Six-fold coordinated silicon at grain boundaries in sintered α-Al2O3

  K. Kaneko; I. Tanaka; M. Yoshiya

  Appl. Phys. Lett., Apr. 1998, Peer-reviewed

  
• Electronic States of Solid State Materials Using Model Clusters.

  Adachi Hirohiko; Tanaka Isao

  Bulletin of the Japan Institute of Metals, 1998

  
• Electronic Structures and Chemical Bonding of TiX2 (X=S, Se, and Te).

  Kim Yang–Soo; Mizuno Masataka; Tanaka Isao; Adachi Hirohiko

  Japanese Journal of Applied Physics, 1998

  
• Cluster calculation of oxygen K-edge electron-energy-loss near-edge structure of NiO

  Kanda H; Yoshiya M; Oba F; Ogasawara K; Adachi H; Tanaka I

  Physical Review B, 1998, Peer-reviewed

  
• Cluster Theory for Electronic State and Chemical Bonding.

  Adachi Hirohiko; Tanaka Isao

  Bulletin of the Japan Institute of Metals, 1997

  
• Analysis of core-hole effect in cation L-2,L-3-edge of MgO, alpha-AL(2)O(3) and SiO2 based on DV-X alpha cluster calculations

  K Ogasawara; Tanaka, I; H Adachi

  ADVANCES IN QUANTUM CHEMISTRY, VOL. 29, 1997, Peer-reviewed

  
• Calculation of core-hole excitonic features on Al L(23)-edge x-ray-absorption spectra of alpha-Al2O3

  Tanaka, I; H Adachi

  PHYSICAL REVIEW B, Aug. 1996, Peer-reviewed

  
• First-principles molecular orbital calculation of electron energy-loss near-edge structures of α-quartz

  Isao Tanaka; Hirohiko Adachi

  Journal of Physics D: Applied Physics, 14 Jul. 1996, Peer-reviewed

  
• Calculation of core-hole excitonic features on Al-edge x-ray-absorption spectra of α

  Isao Tanaka; Hirohiko Adachi

  Physical Review B - Condensed Matter and Materials Physics, 1996, Peer-reviewed

  
• NEAR-EDGE X-RAY-ABSORPTION FINE-STRUCTURE OF CRYSTALLINE SILICON DIOXIDES

  TANAKA, I; J KAWAI; H ADACHI

  PHYSICAL REVIEW B, Oct. 1995, Peer-reviewed

  
• Correlation between the Electronic Structure and Hydrogen Absorption Characteristics in Rare-earth Intermetallic Compound Hydrides

  Tomoyoshi Suenobu; Isao Tanaka; Hirohiko Adachi; Gin-ya Adachi

  J. Alloys Comp., Vol.221, pp.200-206, Feb. 1995

  
• Electronic structure of 3d transition elements in p-si3n4

  Isao Tanaka; Hirohiko Adachi

  Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties, 1995, Peer-reviewed

  
• Near-edge x-ray-absorption fine structure of crystalline silicon dioxides

  Isao Tanaka; Jun Kawai; Hirohiko Adachi

  Physical Review B, 1995, Peer-reviewed

  
• CALCULATION OF THE ELECTRONIC-STRUCTURE OF SP ELEMENTS IN BETA-SI3N4 WITH CORRELATION TO SOLUBILITY AND SOLUTION EFFECTS

  TANAKA, I; K NIIHARA; S NASU; H ADACHI

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Nov. 1993, Peer-reviewed

  

Misc.

• 第一原理計算による高安定性イオン伝導体の材料設計

  設楽一希; 森分博紀; 森朝崇文; 炭谷晃史; 世古敦人; 林博之; HAN Donglin; 田中功; 小山幸典; HUANG Rong

  JFCC研究成果集, 2017

  
• 第一原理計算によるプロトン伝導性BaZrO₃における欠陥形成と会合状態の解析

  桑原彰秀; FISHER Craig A. J.; 豊浦和明; 小山幸典; 森分博紀; 松永克志; 田中功; 田中功

  日本金属学会講演概要(CD-ROM), 2014

  
• プロトン伝導性BaZrO₃における欠陥会合状態の影響

  桑原彰秀; FISHER Craig A. J.; 森分博紀; 豊浦和明; 松永克志; 小山幸典; 大場史康; 田中功

  日本セラミックス協会年会講演予稿集(CD-ROM), 2013

  
• 第一原理計算と機械学習に基づいたリチウムイオン伝導体の探索

  藤村幸司; 藤村幸司; 世古敦人; 小山幸典; 設楽一希; 桑原彰秀; FISHER C. A. J.; 森分博紀; 岸田逸平; 田中功; 田中功

  日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM), 2013

  
• 第一原理計算によるプロトン伝導性BaZrO₃における欠陥会合状態の解析

  桑原彰秀; FISHER Craig A. J.; 森分博紀; 豊浦和明; 小山幸典; 松永克志; 田中功; 田中功

  固体イオニクス討論会講演要旨集, 2013

  
• 第一原理計算と機械学習に基づいたリチウム固体電解質の探索

  藤村幸司; 桑原彰秀; FISHER C.A.J.; 森分博紀; 世古敦人; 小山幸典; 設楽一希; 田中功; 岸田逸平

  JFCC研究成果集, 2013

  
• LISICONにおけるリチウムイオン拡散の第一原理分子動力学計算

  藤村幸司; 桑原彰秀; 森分博紀; 信原邦啓; 小山幸典; 田中功

  電気化学会大会講演要旨集, 2012

  
• BaTiO₃のTi-L_2,3ELNESに対する酸素空孔の影響の第一原理多重項解析

  大槻史朗; 梅田裕二; 城戸修; 上田智子; 藤川佳則; 池野豪一; 森分博紀; 桑原彰秀; 田中功; 田中功; 溝口照康

  日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM), 2012

  
• 酸化物系および硫化物系リチウムイオン固体電解質の第一原理分子動力学計算

  藤村幸司; 藤村幸司; 桑原彰秀; 森分博紀; 世古敦人; 小山幸典; 田中功; 田中功

  日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM), 2012

  
• 第一原理分子動力学法による酸化物系および硫化物系固体電解質中のリチウム伝導解析

  藤村幸司; 藤村幸司; 桑原彰秀; 森分博紀; 世古敦人; 小山幸典; 田中功; 田中功

  固体イオニクス討論会講演要旨集, 2012

  
• リチウムイオン固体電解質の第一原理分子動力学計算

  藤村幸司; 桑原彰秀; 森分博紀; 信原邦啓; 世古敦人; 小山幸典; 田中功; 田中功

  JFCC研究成果集, 2012

  
• LISICONにおけるリチウムイオン伝導の第一原理計算

  藤村幸司; 藤村幸司; 桑原彰秀; 森分博紀; 信原邦啓; 小山幸典; 田中功; 田中功

  日本セラミックス協会年会講演予稿集, 2012

  
• 六方晶希土類複合酸化物の強誘電性と微構造

  藤平哲也; 幾原雄一; 田中功; 森分博紀

  日本金属学会講演概要(CD-ROM), 2012

  
• LISICONにおけるリチウムイオン伝導の第一原理計算

  藤村幸司; 藤村幸司; 桑原彰秀; 森分博紀; 信原邦啓; 小山幸典; 田中功; 田中功

  日本金属学会講演概要(CD-ROM), 2012

  
• プロトン伝導型固体電解質BaZrO₃における熱平衡欠陥濃度の第一原理計算

  桑原彰秀; 豊浦和明; 小山幸典; 大場史康; FISHER Craig A. J.; 森分博紀; 松永克志; 松永克志; 田中功; 田中功

  日本セラミックス協会秋季シンポジウム講演予稿集, 2011

  
• 第一原理計算によるLISICON系固体電解質における原子配置探索とリチウムイオン伝導の解析

  藤村幸司; 藤村幸司; 桑原彰秀; 森分博紀; 信原邦啓; 小山幸典; 田中功; 田中功

  日本セラミックス協会秋季シンポジウム講演予稿集, 2011

  
• 無機固体電解質LISICONにおけるLiイオン伝導の第一原理計算

  藤村幸司; 桑原彰秀; 森分博紀; 信原邦啓; 小山幸典; 田中功; 田中功

  JFCC研究成果集, 2011

  
• 第一原理計算によるLISICON系固体電解質における原子配置探索とリチウムイオン伝導の解析

  藤村幸司; 藤村幸司; 桑原彰秀; 森分博紀; 信原邦啓; 小山幸典; 田中功; 田中功

  固体イオニクス討論会講演要旨集, 2011

  
• BaZrO₃における欠陥平衡の第一原理計算

  桑原彰秀; 豊浦和明; 小山幸典; 大場史康; FISHER Craig A. J.; 森分博紀; 松永克志; 田中功

  固体イオニクス討論会講演要旨集, 2010

  
• 正方晶ペロブスカイト型結晶構造を有するTi酸化物の負の静水圧下での構造相転移の第一原理計算

  森分博紀; 平山司; 田中功; 田中功; 松永克志; 小山幸典

  日本セラミックス協会年会講演予稿集, 2009

  
• 第一原理計算を用いた新規強誘電体材料の材料設計

  森分博紀; 平山司; 小山幸典; 松永克志; 田中功

  JFCC研究成果集, 2009

  
• Pb(Zn_1/3Nb_2/3)ZrTiO₃系圧電材料のMPB近傍結晶相の解析

  奥田和之; 森分博紀; 須田建夫; 大場史康; 田中功

  日本セラミックス協会秋季シンポジウム講演予稿集, 2004

  
• ペロブスカイト型結晶構造アルカリ土類金属-Ti酸化物中の点欠陥の第一原理計算

  森分博紀; 田中功; 足立裕彦

  日本セラミックス協会年会講演予稿集, 2003

  
• スピネル型結晶構造酸化物MgCr₂O₄中のCr空孔形成エネルギーの第一原理計算

  森分博紀; 小山幸典; 田中功; 足立裕彦; 大場史康

  日本セラミックス協会年会講演予稿集, 2001

  
• スピネル型結晶構造酸化物MgCr₂O₄中のCr空孔形成エネルギーの第一原理計算

  森分博紀; 森分博紀; 大場史康; 小山幸典; 田中功; 足立裕彦

  応用物理学関係連合講演会講演予稿集, 2001

  
• スピネル型結晶構造MgCr₂O₄中のCr空孔形成エネルギーの第一原理計算

  森分博紀; 小山幸典; 田中功; 足立裕彦; 大場史康

  DV-Xα研究協会会報, 2001

  
• スピネル型結晶構造酸化物MgCr₂O₄中の陽イオン空孔の第一原理計算

  森分博紀; 大場史康; 小山幸典; 田中功; 足立裕彦

  日本セラミックス協会秋季シンポジウム講演予稿集, 2000

  
• スピネル型結晶構造酸化物MgCr₂O₄中の陽イオン空孔の第一原理計算

  森分博紀; 大場史康; 小山幸典; 田中功; 足立裕彦

  応用物理学会学術講演会講演予稿集, 2000

  
• スピネル型結晶構造酸化物MgCr₂O₄中の陽イオン空孔の第一原理計算

  森分博紀; 大場史康; 小山幸典; 田中功; 足立裕彦

  DV-Xα研究協会会報, 2000

  
• Chemical bondings around metal vacancy in Spinel type MgM₂O₄ (M=Al,Cr,Fe).

  森分博紀; 田中功; 足立裕彦

  日本セラミックス協会年会講演予稿集, 1999

  
• Electronic structure of MgCr2O4 with spinel structure by DV-Xa molecular orbital method.

  森分博紀; 田中功; 足立裕彦

  日本セラミックス協会年会講演予稿集, 1997

  
• First principles calculation and thermodynamics of ceramics at finite temperatures

  桑原 彰秀; 松永 克志; 田中 功

  Proceedings of the conference on computational engineering and science, May 2009

  Access this misc :

  
• 22aWA-11 Lithium diffusion in lithium halides based on transition state theory

  Toyoura Kazuaki; Koyama Yukinori; Tanaka Isao

  Meeting abstracts of the Physical Society of Japan, 25 Aug. 2008

  
• 21aVE-9 First-Principles Study on the Ferroelectric Phase Transition of CdTiO_3

  Moriwake Hiroki; Hirayama Tsukasa; Tanaka Isao; Taniguchi Hiroki; Ito Mitsuru; Shan Yue Jin

  Meeting Abstracts of the Physical Society of Japan, 2008

  
• Analysis of Zn in MgO-ZnO solid solution using XANES and the first-principles calculations (日本電子顕微鏡学会第46回シンポジウム 材料のナノ・生物のナノ) -- (ポスターセッション "7th International Symposium on Advanced physical Fields(APF-7)"との合同セッション)

  Mizoguchi Teruyasu; Yoshiya Masato; Tanaka Isao

  電子顕微鏡, 2001

  
• DV-Xa法による酸化物のクラスター計算

  田中功; 松永克志; 水野正隆; 大場史康; 足立裕彦

  ニューセラミックス, 1997

  
• REALISTIC CLUSTER APPROACH FOR INTERPRETING THE VALENCE-BAND STRUCTURE OF PHOSPHORUS OXYANIONS

  CSERNY, I; L KOVER; A NEMETHY; H ADACHI; TANAKA, I; R SANJINES; C COLUZZA; G MARGARITONDO

  SURFACE AND INTERFACE ANALYSIS, Jul. 1995

  
• Recommender system for discovery of inorganic compounds

  Hiroyuki Hayashi; Atsuto Seko; Isao Tanaka

  NPJ COMPUTATIONAL MATERIALS, Oct. 2022

  Access this misc :

  
• Chemical bonding of oxygen in intergranular amorphous layers in high-purity β-SiC ceramics

  K. Kaneko; M. Yoshiya; I. Tanaka; S. Tsurekawa

  Acta Materialia, 10 Mar. 1999

  
• DV-X alpha study of electronic spectra for MoS4(2-) and [(NC)CuS2MoS2](2-) anions

  Q Miao; H Adachi; Tanaka, I; XQ Xin

  JOURNAL OF PHYSICAL CHEMISTRY A, Aug. 1997

  
• Electronic structures of Ln(3+)alpha-SiAlONs with correlations to solubility and solution effects

  T Nakayasu; T Yamada; Tanaka, I; H Adachi; S Goto

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Oct. 1996

  
• CALCULATION OF ELECTRON-ENERGY-LOSS NEAR-EDGE STRUCTURES USING A MODEL CLUSTER OF MGO

  TANAKA, I; J KAWAI; H ADACHI

  SOLID STATE COMMUNICATIONS, Feb. 1995

  
• Madelung energy of metal-metalloid compounds

  Nishitani, SR; S Fujii; M Mizuno; K Tanaka; Tanaka, I; H Adachi

  COMPUTATIONAL MATERIALS SCIENCE, Feb. 1999

  
• Chemical bonding of titanium-metalloid compounds（共著）

  MIZUNO M; TANAKA I; ADACHI H

  Physical Review B, 1999

  
• Chemical bonding of 3d transition-metal disilicides（共著）

  NISHITANI S R; FUJII S; MIZUNO M; TANAKA I; ADACHI H

  Physical Review B, 1998

  
• Electronic structure of indium oxide using cluster calculations

  Tanaka, I; M Mizuno; H Adachi

  PHYSICAL REVIEW B, Aug. 1997

  
• Effect of solute atoms on the chemical bonding of Fe3C (cementite)

  M Mizuno; Tanaka, I; H Adachi

  PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, Feb. 1997

  
• リチウム二次電池材料の量子材料設計

  田中 功; 小山 幸典; 足立 裕彦

  電池技術, 2002

  
• 21aRB-13 Ab initio design on alloy surfaces : Adsorption properties of Pt-based alloy

  Yuge Koretaka; Koyama Yukinori; Oba Fumiyasu; Tanaka Isao; Seko Atsuto

  Meeting abstracts of the Physical Society of Japan, 25 Aug. 2008

  
• 21aYG-2 First-principles calculations for L_<2,3> x-ray absorption spectra of 3d transition metal oxides

  Ikeno H.; Kumagai Y.; Oba F.; Tanaka I.

  Meeting abstracts of the Physical Society of Japan, 25 Aug. 2008

  
• Formation Energy of Point Defects in Perovskite type Alkaline-earth metal-Ti oxides

  Moriwake H.; Tanaka I.; Adachi H.

  Meeting abstracts of the Physical Society of Japan, 06 Mar. 2003

  
• Characteristics and applications of DV-Xα cluster method

  OGASAWARA Kazuyoshi; IDA Hidenori; TANAKA Isao; ADACHI Hirohiko

  Meeting abstracts of the Physical Society of Japan, 10 Mar. 1998

  
• Thoretical calculations of positron lifetimes for cation vacancy in MgO and ZnO

  Mizuno M.; Kitamatsu K.; Yasuda N.; Araki H.; Shirai Y.; Mizoguchi T.; Tanaka I.; Adachi H.

  Meeting abstracts of the Physical Society of Japan, 03 Sep. 2001

  
• First-priciples calculation for absorption spectrum of Cr: YAG

  Ishii Takugo; Ogasawara Kazuyoshi; Tanaka Isao; Adachi Hirohiko

  Meeting abstracts of the Physical Society of Japan, 10 Sep. 2000

  
• Heats of solution of dilute transition metal alloys

  Nishitani S. R.; Itoh Y.; Tanaka I.; Adachi H.

  Meeting abstracts of the Physical Society of Japan, 10 Sep. 2000

  
• 28a-ZA-7 First-Principles Calculation of Many-electron Energy for Transition Metal Ion in Ligand Field

  Ishii T.; Yamamoto M.; Ogasawara K.; Tanaka I.; Adachi H.

  Meeting abstracts of the Physical Society of Japan, 15 Mar. 1999

  
• First-principles calculations for optical spectra of ions doped in YAG

  ISHII T.; OGASAWARA K.; TANAKA I.; ADACHI H.

  Meeting abstracts of the Physical Society of Japan, 05 Sep. 1998

  
• 29p-E-2 Theoretical Calculation of EELS from Interfaces of Ceramics

  TANAKA Isao; ADACHI Hirohiko

  Meeting abstracts of the Physical Society of Japan, 17 Mar. 1997

  
• Theoretical Calculation of ELNES by DV-Xa Molecular Orbital Method

  TANAKA Isao; ADACHI Hirohiko

  Abstracts of the meeting of the Physical Society of Japan. Sectional meeting, 13 Sep. 1996

  
• 27aA-2 First-Principles Calculations for Optical Spectra of Cr^<4+>:YAG and Cr^<4+>:Forsterite II.

  Ishii Takugo; Ogasawara Kazuyoshi; Tanaka Isao; Adachi Hirohiko

  Meeting abstracts of the Physical Society of Japan, 03 Sep. 1999

  
• Grain boundary structure and chemical bonding state of superplastic SiO_2-doped TZP

  IKUHARA Yuichi; TANAKA Isao; THAVORNITI Parjaree; SAKUMA Taketo

  Journal of Electron Microscopy, 01 Dec. 1997

  
• 21pTD-6 In-plane diffusion in a lithium-graphite intercalation compounds from first-principles calculations

  Toyoura K.; Koyama Y.; Oba F.; Tanaka I.

  Meeting abstracts of the Physical Society of Japan, 21 Aug. 2007

  
• 21pTD-5 First-principles study on phase diagram of cubic (BN)_<(1-x)>(C_2)_x ternary alloy

  Yuge Koretaka; Seko Atsuto; Koyama Yukinori; Oba Fumiyasu; Tanaka Isao

  Meeting abstracts of the Physical Society of Japan, 21 Aug. 2007

  
• 21pTD-7 Local environment of magnetic ions in diluted magnetic semiconductors by transition metal L_<2,3>-edge XANES

  Ikeno H.; Hayashi H.; Yamamoto T.; Sonoda S.; Oba F.; Tanaka I.

  Meeting abstracts of the Physical Society of Japan, 21 Aug. 2007

  
• Electronic Structure of Metallic Materials-From the Viewpoint of Ceramics

  TANAKA Isao

  Ceramics Japan, 01 Jun. 1999

  
• 29pYB-2 First-principles study of Pt segregation to (111) surface in PtRh alloys

  Yuge Koretaka; Seko Atsuto; Kuwabara Akihide; Oba Fumiyasu; Tanaka Isao

  Meeting abstracts of the Physical Society of Japan, 04 Mar. 2006

  
• 19aTG-9 Order and segregation at Cu_<75>Pt_<25>(111) surface : a cluster expansion and first-principles study

  Yuge Koretaka; Seko Atsuto; Kuwabara Akihide; Oba Fumiyasu; Tanaka Isao

  Meeting abstracts of the Physical Society of Japan, 28 Feb. 2007

  
• Electronic Structures of Rare-Earth Complexes in α-sialons with Correlations to Solubility

  ADACHI Hirohiko; TANAKA Isao; NAKAYASU Tetsuo

  希土類 = Rare earths, 11 May 1995

  
• Searching for New Dielectric Materials by Combination of First Principles Calculations and Machine Learning

  梅田 裕二; 林 博之; 森分 博紀; 田中 功

  Ceramics Japan = セラミックス : bulletin of the Ceramic Society of Japan, Jul. 2019

  
• マテリアルズ・インフォマティクス 固相法により合成したZr,Si置換LiFePO₄材料の長期サイクル特性

  西島主明; 松山貴洋; 西村直人; 吉江智寿; 西中俊平; 上村雄一; 江崎正悟; 大平耕司; 村井俊介; 藤田晃司; 田中勝久; 小山幸典; 田中功

  セラミックス, 01 Jul. 2015

  
• Design of novel substituted LiFePO4 materials by first-principle calculation for long-cycle life lithium ion batteries

  Motoaki Nishijima; Takuya Ootani; Shogo Esaki; Takahiro Matsuyama; Tomohisa Yoshie; Naoto Nishimura; Seizo Kakimoto; Shunsuke Murai; Koji Fujita; Katsuhisa Tanaka; Yukinori Koyama; Isao Tanaka

  Shapu Giho/Sharp Technical Journal, 01 Jan. 2014

  
• First principles calculations of point defects in acceptor-doped BaZrO3

  Akihide Kuwabara; Kazuaki Toyoura; Yukinori Koyama; Craig; A.J. Fisher; Fumiyasu Oba; Katsuyuki Matsunaga; Hiroki Moriwake; Isao Tanaka

  AMTC letters, 2012

  
• Computational Materials Design at the Nanostructures Research Laboratory

  Hiroki Moriwake; Akihide Kuwabara; Craig A. J. Fisher; Isao Tanaka

  Kinzoku, 2011

  
• Local environment study of dopants in hydroxyapatite using XANES and first-principles calculations

  H. Murata; K. Shitara; Y. Emi; K. Matsunaga; I. Tanaka; T. Mizoguchi; A. Nakahira

  AMTC Lett., 2010

  
• Theoretical calculation of structure and stability of layered titanates as precursor of nanotubes

  M. Mori; Y. Kumagai; K. Matsunaga; I. Tanaka

  AMTC Lett., 2010

  
• クラスター展開法を用いた相平衡の理論計算 (特集 状態図の第一原理熱力学計算--現状と展望)

  世古 敦人; 田中 功

  金属, Jan. 2010, Peer-reviewed

  
• New Directions for Materials R & D Combining Advanced Transmission Electron Microscopy and Theoretical Calculations

  HIRAYAMA Tsukasa; IKUHARA Yuichi; TANAKA Isao

  Ceramics Japan, 01 Sep. 2009, Peer-reviewed

  
• Nano-Structure Analysis and Materials Design of Ceramics through First Principles Calculations : A Study on Tin Oxides

  TANAKA Isao; SEKO Atsuto; TOGO Atsushi; OBA Fumiyasu; MATSUNAGA Katsuyuki

  Ceramics Japan, 01 Sep. 2009, Peer-reviewed

  
• 26pYK-3 Anharmonic Effects on Pressure-Temperature Phase Diagram of ZnO : A First-Principles Molecular Dynamics Study

  Takahashi Yuji; Seko Atsuto; Tanaka Isao

  Meeting abstracts of the Physical Society of Japan, 18 Aug. 2009

  
• High Pressure Synthesis of Functionalized Group III Nitride Crystals by Using Reaction Solvent

  TANIGUCHI Takashi; WATANABE Kenji; NAKAYAMA Atsuko; OBA Fumiyasu; TANAKA Isao

  Bulletin of the Japan Institute of Metals, 01 Jun. 2009, Peer-reviewed

  
• First Principles Thermodynamics Calculations of Atomic Scale Modifications

  TANAKA Isao; SEKO Atsuto; YUGE Koretaka; KOYAMA Yukinori; OBA Fumiyasu; MATSUNAGA Katsuyuki

  Bulletin of the Japan Institute of Metals, 01 Jun. 2009, Peer-reviewed

  
• 28pRB-7 Isostructural phase transitions of tetragonal perovskite titanates under negative hydrostatic pressure

  Moriwake Hiroki; Hirayama Tsukasa; Tanaka Isao; Matsunaga Katsuyuki; Koyama Yukinori

  Meeting abstracts of the Physical Society of Japan, 03 Mar. 2009

  
• 30aRF-12 Anharmonic vibration effects of the pressure induced wurtzite to rocksalt phase transition of ZnO

  高橋 祐二; 世古 敦人; 田中 功

  Meeting abstracts of the Physical Society of Japan, 03 Mar. 2009

  
• Ab-initio CI calculations for 3d transition metal L-2,L-3 X-ray absorption spectra of TiCl4 and VOCl3

  Hidekazu Ikeno; Frank M. F. de Groot; Isao Tanaka

  14TH INTERNATIONAL CONFERENCE ON X-RAY ABSORPTION FINE STRUCTURE (XAFS14), PROCEEDINGS, 2009, Peer-reviewed

  
• Diffusivity of lithium in a graphite intercalation compound by combination of transition state theory and first principles calculations

  K. Toyoura; Y. Koyama; A. Kuwabara; I. Tanaka

  AMTC Letters, 2008

  
• First principle calculations of nucleation free energy change for BCCCu precipitates in Fe-Cu system

  Shigeto R. Nishitani; Atsuto Seko; Isao Tanaka; Hirohiko Adachi; Eiichi F. Fujita

  Solid-Solid Phase Transformations in Inorganic Material 2005, Vol 2, 2005, Peer-reviewed

  
• Charge separation and arrangement of Ni and Mn in LiNi_1/2Mn _1/2O₂ by the first-principles calculation

  Y. Koyama; Y. Makimura; I. Tanaka; H. Adachi; T. Ohzuku

  Proceedings - Electrochemical Society, 2004, Peer-reviewed

  
• Positron annihilation study of formation of Mg vacancy in MgO

  M Mizuno; Y Inoue; K Sugita; H Araki; Y Shirai; T Mizoguchi; Tanaka, I; H Adachi

  POSITRON ANNIHILATION, ICPA-13, PROCEEDINGS, 2004, Peer-reviewed

  
• 解説「電子線エネルギー損失スペクトルの理論計算による解釈」 溝口照康、田中功、足立裕彦

  溝口 照康; 田中 功; 足立 裕彦

  まてりあ, 2003

  
• Theoretical Analysis on Al-K XANES and Atomic Structures of SiAlONs

  TATSUMI Kazuyoshi; MIZOGUCHI Teruyasu; YOSHIYA Masato; TANAKA Isao; ADACHI Hirohiko

  電子顕微鏡, 27 Nov. 2002

  
• Core-hole effect on theoretical calculation of ELNES

  MIZOGUCHI Teruyasu; TANAKA Isao; ADACHI Hirohiko

  Electron-microscopy, 27 Nov. 2002

  
• First Principles Calculations of Localized Quantum Structures

  TANAKA Isao; OBA Fumiyasu; MORIWAKE Hiroki; ADACHI Hirohiko

  Ceramics Japan, 01 Jun. 2002

  
• リチウムイオン電池の量子材料設計 小山、田中、足立

  小山 幸典; 田中 功; 足立 裕彦

  「まてりあ」, 2002

  
• Atomic and electronic structure of symmetric tilt boundaries in ZnO

  F. Oba; S.R. Nishitani; H. Adachi; I. Tanaka; M. Kohyama; S. Tanaka

  Materials Research Society Symposium - Proceedings, 2001, Peer-reviewed

  
• First-principle calculation for absorption spectrum of Cr4+: Ca2MgSi2O7 ((a)over-circlekermanite)

  T Ishii; K Fujimura; K Ogasawara; Tanaka, I; H Adachi

  LASER OPTICS 2000: SOLID STATE LASERS, 2001, Peer-reviewed

  
• Localized Quantum Structures-A Case in ZnO Ceramics

  TANAKA Isao; OBA Fumiyasu; ADACHI Hirohiko

  Bulletin of the Japan Institute of Metals, 2000

  
• First-principle calculation of peak energy and intensity of absorption spectra in Cr⁴⁺-doped system

  Takugo Ishii; Koji Fujimura; Kazuyoshi Ogasawara; Isao Tanaka; Hirohiko Adachi

  Conference on Lasers and Electro-Optics Europe - Technical Digest, 2000, Peer-reviewed

  
• Analytical investigation of the interface between SiC and graphite within the HIPed non-additive sintered SiC.

  KANEKO K.; YUAN J.; YOSHIYA M.; TANAKA I.

  電子顕微鏡, 01 May 1999

  
• First principles calculations of localized imperfections in functional oxides

  TANAKA Isao; OBA Fumiyasu; ADACHI Hirohiko

  電子顕微鏡, 01 May 1999

  
• First-principles calculation of optical spectra for transition-metal impurities doped in ZnO and ZnS

  K Ogasawara; T Ishii; F Oba; Tanaka, I; H Adachi

  LUMINESCENT MATERIALS, 1999, Peer-reviewed

  
• Importance of metal-metal bondings at the interface of MgO and 3d-transition metals

  Tanaka, I; M Mizuno; S Nakajyo; H Adachi

  ACTA MATERIALIA, Nov. 1998

  
• Electronic structure and chemical bonding of TiS2 by cluster calculation

  YS Kim; M Mizuno; Tanaka, I; H Adachi

  MATERIALS TRANSACTIONS JIM, Jul. 1998

  
• Chemical bonding at the Fe/TiX (X = C, N or O) interfaces

  M Mizuno; Tanaka, I; H Adachi

  ACTA MATERIALIA, Mar. 1998

  
• Calculation of grain-boundary bonding in rare-earth-doped beta-Si(3)N(4)

  T Nakayasu; T Yamada; Tanaka, I; H Adachi; S Goto

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Mar. 1998

  
• Electronic mechanism of Ag-cluster formation in AgBr and AgI

  K. Matsunaga; I. Tanaka; H. Adachi

  J. Phys. Soc. Jpn, 1998

  
• Chemical Bondings around Intercalated Li Atoms in LiTiX₂(X=S, Se, and Te)

  Yang– Soo Kim; Yukinori Koyama; Isao Tanaka; Hirohiko Adachi

  Jpn. J. Appl. Phys., 1998

  
• Analysis of Covalent Effects on the Multiplet Structure of Ruby Based on First-Principles Cluster Calculations

  Kazuyoshi Ogasawara; Takugo Ishii; Yukiko Ito; Hidenori Ida; Isao Tanaka; Hirohiko Adachi

  Jpn. J. Appl. Phys., 1998

  
• Introduction of Surface Analysis: Electron Energy Loss Spectroscopy.

  TANAKA Isao

  ぶんせき, 05 Mar. 1997

  
• Electronic states and chemical bondings of an interstitial cation in ionic compounds NaCl and AgCl

  K. Matsunaga; I. Tanaka; H. Adachi

  J. Phys. Soc. Jpn, 1996

  
• Growth Mechanism of BaTiO₃ Thin Film by Theoretical Calculation of Electronic Structure

  Young– Seog Kang; Isao Tanaka; Hirohiko Adachi; Soon Ja Park

  Jpn. J. Appl. Phys., 1996

  
• Electronic States of F-Centers in Alkali Halide Crystals

  Katsuyuki Matsunaga; Nobutaka Narita; Isao Tanaka; Hirohiko Adachi

  J. Phys. Soc. Jpn., 1996

  
• Profile changes of X-ray spectra and their interpretation using the molecular-orbital method (Review)

  KAWAI Jun; TANAKA Isao; ADACHI Hirohiko

  BUNSEKI KAGAKU, 1995

  
• HIGH-RESOLUTION ELECTRON-MICROSCOPY OBSERVATIONS OF GRAIN-BOUNDARY FILMS IN SILICON-NITRIDE CERAMICS

  HJ KLEEBE; MK CINIBULK; TANAKA, I; J BRULEY; RM CANNON; DR CLARKE; MJ HOFFMANN; M RUHLE

  SILICON NITRIDE CERAMICS, 1993, Peer-reviewed