基本情報

学部兼担

• 工学部

所属学協会

• 日本鉄鋼協会
• Materials Research Society
• 日本セラミックス協会
• 日本金属学会
• World Academy of Ceramics
• The American Ceramics Society

学位

• 工学修士(京都大学)
• 工学博士(大阪大学)

使用言語

• 英語

ID,URL

• ORCID ID

  0000-0002-4616-118X

• J-Global ID

  200901055361573533

• 外部リンク

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

researchmap URL

• https://researchmap.jp/Tanaka_Isao

研究

研究キーワード

• 材料科学基礎
• 計算材料科学
• マテリアルズインフォマティクス

研究分野

• ナノテク・材料, 無機材料、物性
• ナノテク・材料, 金属材料物性

論文

• Characterization of Zn-Doped MgTiO₃ Powders Synthesized by Dissolved Metals Mixing Method

  Musyarofah Musyarofah; Isao Tanaka; Zakiah Mohamed; Yingyot Poo-arporn; Lusi Ernawati; Gatut Yudoyono; Budi Prayitno

  Indonesian Journal of Chemistry, 2025年03月25日

  
• Simultaneous Exploration of Candidates for Electrode and Electrolyte Materials for All-Solid-State Batteries Using Predicted Rating from a Recommender System

  Toshiya Nakayama; Kenta Watanabe; Yudai Iwamizu; Kota Suzuki; Naoki Matsui; Atsuto Seko; Isao Tanaka; Ryoji Kanno; Masaaki Hirayama

  ACS Applied Energy Materials, 2025年02月24日

  
• Data-driven prediction of chemically relevant compositions in multi-component systems using tensor embeddings

  Isao Tanaka

  SCIENTIFIC REPORTS, 2025年

  
• Synthesis of pyrochlore Sr2Ta2O7 via continuous‐flow supercritical hydrothermal approach

  Hiroyuki Hayashi; Yuki Matsukuma; Kazunori Murakami; Isao Tanaka

  Journal of the American Ceramic Society, 2025年01月

  
• Predictive power of polynomial machine learning potentials for liquid states in 22 elemental systems

  Hayato Wakai; Atsuto Seko; Hirosato Izuta; Takayuki Nishiyama; Isao Tanaka

  Physical Review B, 2024年06月24日

  
• Algorithm for spin symmetry operation search

  Isao Tanaka

  ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2024年

  
• First-principles study on lanthanide dopants in BaTiO₃

  Isao Tanaka

  CURRENT APPLIED PHYSICS, 2024年

  
• spgrep: On-the-fly generator of space-group irreducible representations

  Kohei Shinohara; Atsushi Togo; Isao Tanaka

  Journal of Open Source Software, 2023年05月23日

  
• Impacts of first principles calculations in engineering ceramics

  Isao Tanaka

  JOURNAL OF THE CERAMIC SOCIETY OF JAPAN, 2016年

  
• Process-Induced Damage Characterization of Patterned Low-κ Film Using Electron Energy Loss Spectroscopy Technique

  Isao Tanaka

  JAPANESE JOURNAL OF APPLIED PHYSICS, 2010年

  
• Inter-granular glassy phases in the low-CaO-doped HIPed Si₃N₄ ceramics: a review

  Isao Tanaka

  INTERNATIONAL JOURNAL OF MATERIALS RESEARCH, 2010年

  
• Graded composition and valence states in self-forming barrier layers at Cu-Mn/SiO₂ interface

  Isao Tanaka

  APPLIED PHYSICS LETTERS, 2010年

  
• Lithium Iron Borates as High-Capacity Battery Electrodes

  Isao Tanaka

  ADVANCED MATERIALS, 2010年

  
• Electronic structure and x-ray-absorption near-edge structure of amorphous Zr-oxide and Hf-oxide thin films: A first-principles study - art. no. 073519

  Isao Tanaka

  JOURNAL OF APPLIED PHYSICS, 2005年

  
• Dopant-modified local chemical bonding at a grain boundary in SrTiO3

  Isao Tanaka

  PHILOSOPHICAL MAGAZINE LETTERS, 1997年

  
• Electron microscopic characterization of doped sintered α-Al₂O₃

  Isao Tanaka

  ELECTRON MICROSCOPY AND ANALYSIS 1997, 1997年

  
• Electron microscopic characterization of doped sintered alpha-Al2O3

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

  Electron Microscopy and Analysis 1997, 1997年

  
• Dopant-modified local chemical bonding at a grain boundary in SrTiO3

  Tanaka, I.; Nakajima, T.; Kawai, J.; Adachi, H.; Gu, H.; Ruhle, M.

  Philosophical Magazine Letters, 1997年

  
• Structure and chemistry of intergranular films in Ca-doped Si3N4

  Isao Tanaka

  INTERGRANULAR AND INTERPHASE BOUNDARIES IN MATERIALS, PT 2, 1996年

  
• Chemical bonding of transition metal disilicides

  Isao Tanaka

  INTERMETALLICS, 1996年

  
• HIGH-TEMPERATURE FRACTURE MECHANISM OF LOW-CA-DOPED SILICON-NITRIDE

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1995年

  
• HIGH-TEMPERATURE STRENGTH OF FLUORINE-DOPED SILICON-NITRIDE

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1994年

  
• CALCIUM-CONCENTRATION DEPENDENCE OF THE INTERGRANULAR FILM THICKNESS IN SILICON-NITRIDE

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1994年

  
• A LASER RAMAN-STUDY OF D+ AND HE+ ION-IRRADIATED DIAMOND AND GRAPHITE

  Isao Tanaka

  NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 1994年

  
• EVIDENCES FOR DILUTE SOLID-SOLUTIONS IN THE SI3N4-TIN SYSTEM

  Isao Tanaka

  SCRIPTA METALLURGICA ET MATERIALIA, 1994年

  
• CHEMISTRY OF GRAIN-BOUNDARIES IN CALCIA DOPED SILICON-NITRIDE STUDIED BY SPATIALLY-RESOLVED ELECTRON-ENERGY-LOSS SPECTROSCOPY

  Isao Tanaka

  ANALYTICA CHIMICA ACTA, 1994年

  
• XAFS STUDIES OF AMORPHOUS-SILICON NITRIDE

  Isao Tanaka

  JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 1993年

  
• INTRINSIC FRACTURE ENERGY OF POLYCRYSTALLINE SILICON-NITRIDE

  Isao Tanaka

  PHILOSOPHICAL MAGAZINE LETTERS, 1993年

  
• DENSIFICATION AND MICROSTRUCTURAL DEVELOPMENT OF SILICON-NITRIDE SILICA DURING HOT ISOSTATIC PRESSING

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1992年

  
• HIGH-TEMPERATURE STRENGTH AND CAVITATION THRESHOLD OF SILICON-NITRIDE SILICA CERAMICS

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1992年

  
• EVALUATION OF SLOW CRACK-GROWTH RESISTANCE IN CERAMICS FOR HIGH-TEMPERATURE APPLICATIONS

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1992年

  
• DELAYED-FAILURE RESISTANCE OF HIGH-PURITY SI3N4 AT 1400-DEGREES-C

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1992年

  
• ELECTRONIC-STRUCTURE BEHIND THE MECHANICAL-PROPERTIES OF BETA-SIALONS

  Isao Tanaka

  ACTA METALLURGICA ET MATERIALIA, 1992年

  
• SOLUTION EFFECT ON THE SLOW CRACK-GROWTH RESISTANCE OF DILUTE SIALONS AT HIGH-TEMPERATURES

  Isao Tanaka

  JOURNAL OF MATERIALS SCIENCE, 1992年

  
• SI3N4/SIC-WHISKER COMPOSITES WITHOUT SINTERING AIDS .3. HIGH-TEMPERATURE BEHAVIOR

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1991年

  
• LASER RAMAN MICROPROBE ANALYSIS OF THE MODIFIED SURFACE OF HE+-IRRADIATED GRAPHITE

  Isao Tanaka

  JOURNAL OF NUCLEAR MATERIALS, 1991年

  
• IMPURITY-ENHANCED INTERGRANULAR CAVITY FORMATION IN SILICON-NITRIDE AT HIGH-TEMPERATURES

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1991年

  
• FRACTURE-TOUGHNESS OF SI3N4 AND ITS SI3N4 WHISKER COMPOSITE WITHOUT SINTERING AIDS

  Isao Tanaka

  JOURNAL OF MATERIALS SCIENCE, 1991年

  
• HOT ISOSTATIC PRESSING OF SYNTHESIZED BETA-SIALON POWDERS

  Isao Tanaka

  NIPPON SERAMIKKUSU KYOKAI GAKUJUTSU RONBUNSHI-JOURNAL OF THE CERAMIC SOCIETY OF JAPAN, 1990年

  
• HOT ISOSTATIC PRESSING AND HIGH-TEMPERATURE STRENGTH OF SILICON-NITRIDE SILICA CERAMICS

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1990年

  
• SI3N4/SIC-WHISKER COMPOSITES WITHOUT SINTERING AIDS .1. QUANTITATIVE-EVALUATION OF MICROSTRUCTURE

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1990年

  
• SI3N4/SIC-WHISKER COMPOSITES WITHOUT SINTERING AIDS .2. FRACTURE-BEHAVIOR

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1990年

  
• CHARACTERIZATION OF GRAPHITE SURFACE AFTER HEAT-SHOCK EXPERIMENT

  Isao Tanaka

  JOURNAL OF NUCLEAR MATERIALS, 1990年

  
• PROCESSING AND MECHANICAL-PROPERTIES OF DENSE SI3N4 SIC-WHISKER COMPOSITES WITHOUT SINTERING AIDS

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1989年

  
• HOT ISOSTATIC PRESS SINTERING AND PROPERTIES OF SILICON-NITRIDE WITHOUT ADDITIVES

  Isao Tanaka

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1989年

  
• CO-57 MOSSBAUER STUDY OF THE RECOVERY PROCESS OF ELECTRON-IRRADIATED GOLD

  Isao Tanaka

  PHYSICAL REVIEW B, 1988年

  
• INSITU AND EXSITU EMISSION MOSSBAUER-SPECTRA OF NO-CARRIER-ADDED SB-119 ELECTRODEPOSITED ON GOLD

  Isao Tanaka

  JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1988年

  
• MOTION OF VACANCY-SOLUTE PAIRS IN THE ANNEALING PROCESS OF QUENCHED AU-SB DILUTE ALLOYS

  Isao Tanaka

  JOURNAL OF THE JAPAN INSTITUTE OF METALS, 1987年

  
• SN-119 MOSSBAUER STUDY ON THE INTERMETALLIC COMPOUNDS IN AU-SN ALLOYS

  Isao Tanaka

  JOURNAL OF THE JAPAN INSTITUTE OF METALS, 1986年

  
• SB-119 MOSSBAUER STUDY ON QUENCHED-IN VACANCIES IN GOLD

  Isao Tanaka

  JOURNAL OF PHYSICS F-METAL PHYSICS, 1986年

  
• SN-119 MOSSBAUER STUDY ON INTERNALLY OXIDIZED AU-SN ALLOY

  Isao Tanaka

  JOURNAL OF THE JAPAN INSTITUTE OF METALS, 1985年

  
• Discovery of Novel Materials with Giant Dielectric Constants via First‐Principles Phonon Calculations and Machine Learning

  Moriwake, Hiroki; Shitara, Kazuki; Yokoi, Rie; Kato, Takeharu; Tanaka, Isao; Yamamoto, Ayako; Murase, Kimitoshi; Hamasaiki, Yosuke; Ehara, Yoshitaka; Itoh, Mitsuru

  Advanced Intelligent Discovery, 2025年

  
• Room‐temperature plastic deformation of single crystals of high‐purity β‐silicon nitride investigated by micropillar compression

  Kadota, Nobuyuki; Taniguchi, Koki; Kishida, Kyosuke; Okamoto, Norihiko L; Inoue, Koji; Inui, Haruyuki; Tanaka, Isao; Zhou, You; Hyuga, Hideki; Hirao, Kiyoshi

  Journal of the American Ceramic Society, 2025年

  
• A Systematic Approach to Crystal Structure Prediction Following Imaginary Phonon Modes Combined With Polynomial Machine Learning Potentials

  Naruse, Takuya; Seko, Atsuto; Tanaka, Isao

  Journal of the Physical Society of Japan, 2025年

  
• Unraveling Element-Selective Local Structures in Multielement Alloy Nanoparticles with EXAFS

  Nakamura, Masashi; Wu, Dongshuang; Mukoyoshi, Megumi; Kusada, Kohei; Hayashi, Hiroyuki; Toriyama, Takaaki; Yamamoto, Tomokazu; Murakami, Yasukazu; Ashitani, Hirotaka; Kawaguchi, Shogo

  ACS Nanoscience Au, 2025年

  この論文にアクセスする：

  
• Systematic First-Principles Prediction of Pressure-Induced Structural Phase Transitions Based on Elastic Instability

  Naruse, Takuya; Seko, Atsuto; Tanaka, Isao

  Journal of the Physical Society of Japan, 2025年

  
• Mechanochemical effects on the synthesis of copper orthophosphate and cyclo-tetraphosphate bulks by the hydrothermal hot pressing method

  Onoda, Hiroaki; Okumoto, Ken-ichi; Nakahira, Atsushi; Tanaka, Isao

  Materials, 2009年

  
• Structure and phase sta-bility of nonstoichiometric compounds of tin oxides

  Seko, Atsuto; Togo, Atsushi; Oba, Fumiyasu; Tanaka, Isao

  AMTC Letter, 2008年

  
• Improvement of acid and base resistance of nickel phosphate pigment by the addition of lanthanum cation

  Onoda, Hiroaki; Matsui, Hironori; Tanaka, Isao

  Materials Science and Engineering: B, 2007年

  
• Synthesis of phosphate glass coating film by pulsed laser deposition

  Takada, Mika; Isshiki, Toshiyuki; Wakasugi, Takashi; Tanaka, Isao; Nakahira, Atsushi

  Journal of the Society of Materials Science, Japan, 2007年

  
• INFLUENCE OF UREA ADDITION ON PREPARATION AND ACIDIC PROPERTIES OF AMORPHOUS LANTHANUM PYROPHOSPHATE

  Onoda, Hiroaki; Ishima, Yuya; Nakayama, Hirokazu; Tanaka, Isao

  Phosphorus Research Bulletin, 2007年

  
• Chemical Bonding Information from ELNES using Bond Overlap Population Diagram

  Mizoguchi, Teruyasu; Tanaka, Isao

  Microscopy and Microanalysis, 2005年

  
• Special Issue on Advances in Computational Materials Science and Engineering III-Basic Electronic Theory and Novel Algorithms-First Principles Calculation of Fe L2, 3-edge X-ray Absorption Near

  Ikeno, Hidekazu; Tanaka, Isao; Miyamae, Toru; Mishima, Takahiro; Adachi, Hirohiko; Ogasawara, Kazuyoshi

  Materials Transactions-JIM, 2004年

  
• Electrical Structure and Electronic Transitions in Layered Materials Electrical Structure and Electronic Transitions in Layered Materials 1, 1986

  Kim, Yang-Soo; Mizuno, Masataka; Tanaka, Isao; ADACHI, Hirohiko

  Materials transactions, JIM, 1998年

  
• Structure of Amorphous Silicon Nitried (a-Si3N4)

  Umesaki, Norimasa; Kamijo, Nagao; Tanaka, Isao; Niihara, Koichi

  Journal of the Japan Society of Powder and Powder Metallurgy, 1994年

  
• The Improvement of Fracture Strength of Al2O3/Sic Whisker/ZrO2 Composites by Thermal Stresses

  Takada, Hiroshi; Nakahira, Atsushi; Tanaka, Isao; Uchiyama, Tetsuo; Inoue, Shigeo; Niihara, Koichi

  Journal of the Japan Society of Powder and Powder Metallurgy, 1990年

  
• Reaction Heat Sintering Using HIP-Densification of TiC-Ni Composites

  Nakanishi, Hiroyuki; Tanaka, Isao; Okamoto, Taira; Miyamoto, Yoshinari; Yamada, Osamu

  Journal of the Japan Society of Powder and Powder Metallurgy, 1990年

  
• Spglib: a software library for crystal symmetry search

  Atsushi Togo; Kohei Shinohara; Isao Tanaka

  SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS-METHODS, 2024年12月31日

  
• Synthesis and electrical conductivity of bulk tetra-valent cerium pyrophosphate

  Hiroaki Onoda; Yousuke Inagaki; Akihide Kuwabara; Naoto Kitamura; Koji Amezawa; Atsushi Nakahira; Isao Tanaka

  JOURNAL OF CERAMIC PROCESSING RESEARCH, 2010年06月, 査読有り

  
• Synthesis and electrical conductivity of tetra-valent cerium polyphosphate bulks

  Onoda, Hiroaki; Inagaki, Yousuke; Kuwabara, Akihide; Kitamura, Naoto; Amezawa, Koji; Nakahira, Atsushi; Tanaka, Isao

  Phosphorus Research Bulletin, 2009年03月, 査読有り

  
• Atomic and electronic structure of V/MgO interface

  Ikuhara, Y.; Sugawara; Y. and; Tanaka, I.; Pirouz, P.

  Interface Science, 1997年, 査読有り

  
• Algorithms for magnetic symmetry operation search and identification of magnetic space group from magnetic crystal structure

  Kohei Shinohara; Atsushi Togo; Isao Tanaka

  ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2023年09月

  
• 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年

  この論文にアクセスする：

  
• 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年

  
• 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, 2002年04月15日

  この論文にアクセスする：

  
• Materials Transactions: Preface

  Yuichi Ikuhara; Isao Tanaka

  Materials Transactions, 2002年07月

  
• 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, 2001年11月01日

  この論文にアクセスする：

  
• 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年

  
• Recommender Systems for Materials Discovery

  Atsuto Seko; Hiroyuki Hayashi; Hisashi Kashima; Isao Tanaka

  Lecture Notes in Physics, 2020年

  
• Coordination polymers as precursors of simple and complex oxides

  Hiroyuki Hayashi; Yuta Morimitsu; Ikko Tatsumi; Isao Tanaka

  INTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY, 2022年08月

  
• Implementation strategies in phonopy and phono3py

  Isao Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, 2023年09月04日

  
• 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, 2022年01月01日

  
• 立方晶窒化ホウ素中に形成された複合点欠陥

  石川 亮; 柴田 直哉; 幾原 雄一; 大場 史康; Findlay Scott D.; 谷口 尚; 田中 功

  まてりあ, 2016年

  
• 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, 2015年04月, 査読有り

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

  M. Yoshiya; I. Tanaka; H. Adachi

  2010年06月, 招待有り

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

  M. Yoshiya; I. Tanaka; H. Adachi

  2010年01月, 招待有り

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

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

  2008年06月, 招待有り

  
• 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, 2007年05月05日

  
• 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, 2002年04月

  
• 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, 2001年04月

  
• 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, 2001年04月

  
• 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, 2001年04月, 査読有り

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

  Isao Tanaka

  PRICM 4: FORTH PACIFIC RIM INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS AND PROCESSING, VOLS I AND II, 2001年04月, 査読有り

  
• 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, 2001年04月, 査読有り

  
• 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年, 査読有り

  
• 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年, 査読有り

  
• First principles calculations of oxygen-vacancies in oxides

  Isao Tanaka

  PRICM 4: FORTH PACIFIC RIM INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS AND PROCESSING, VOLS I AND II, 2001年, 査読有り

  
• 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, 2000年12月

  
• 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, 2000年12月

  
• 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, 2000年04月, 査読有り

  
• 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, 2000年04月, 査読有り

  
• 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, 2000年04月, 査読有り

  
• Local structural analysis around Si in MgO by ELNES

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

  Bull. Soc. DV-Xα, 2000年04月, 査読有り

  
• Electronic structure calculation of symmetric tilt boundaries in ZnO

  Isao Tanaka

  GRAIN BOUNDARY ENGINEERING IN CERAMICS - FROM GRAIN BOUNDARY PHENOMENA TO GRAIN BOUNDARY QUANTUM STRUCTURES, 2000年, 査読有り

  
• 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, 1999年12月

  
• 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, 1999年12月

  
• 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, 1999年12月

  
• 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, 1999年12月

  
• The influence of doping Zn in MgO

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

  Bull. Soc. DV-Xα, 1999年04月, 査読有り

  
• 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, 1999年04月, 査読有り

  
• 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, 1999年04月, 査読有り

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

  Isao Tanaka

  ELECTROCERAMICS IN JAPAN I, 1999年, 査読有り

  
• 走査型透過電子顕微鏡を用いたセラミックス粒界のキャラクタリゼーション

  金子 賢治; 連川 貞弘; 田中 功

  まてりあ : 日本金属学会会報, 1998年11月20日

  
• Bonding sructure of impurity Si in MgO

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

  Proceedings of Korea-Japan DV-Xα Joint Symposium ('98), 1998年04月, 査読有り

  
• 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年, 査読有り

  
• 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, 1995年04月, 査読有り

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

  Tanaka Isao; Nasu Saburo; Fujita Francisco Eiichi

  J Phys Soc Jpn, 1988年02月15日

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

  M. Yoshiya; I. Tanaka; H. Adachi

  Acta Mater., 2000年04月01日, 査読有り

  
• 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年, 査読有り

  
• 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, 2022年07月, 査読有り

  
• Finding well-optimized special quasirandom structures with decision diagram

  篠原 航平; 世古 敦人; Takashi Horiyama; 田中 功

  Physical Review Materials, 2021年11月, 査読有り

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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, 2021年10月, 査読有り

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

  Isao Tanaka

  JOURNAL OF CHEMICAL PHYSICS, 2021年06月, 査読有り

  
• 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, 2022年09月

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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, 2022年02月

  
• 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年

  
• 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, 2021年09月23日

  
• 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, 2021年04月

  
• 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年, 査読有り

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

  Isao Tanaka

  PHYSICAL REVIEW MATERIALS, 2020年12月, 査読有り

  
• 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, 2020年09月17日

  
• 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, 2020年09月, 査読有り

  
• Data-Driven Materials Discovery from Large Chemistry Spaces

  Isao Tanaka

  MATTER, 2020年08月, 査読有り

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

  Isao Tanaka

  PHYSICAL REVIEW B, 2020年07月, 査読有り

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

  Isao Tanaka

  JOURNAL OF MATERIALS CHEMISTRY A, 2020年06月, 査読有り

  
• 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, 2020年05月, 査読有り

  
• 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, 2020年05月, 査読有り

  
• 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, 2019年12月

  
• 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, 2019年12月, 査読有り

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

  Chaput, L; Togo, Atsushi; Tanaka, Isao

  Physical Review B, 2019年11月, 査読有り

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

  Yuji Ikeda; Isao Tanaka; Jörg Neugebauer; Fritz Körmann

  Physical Review Materials, 2019年11月12日, 査読有り

  
• 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, 2019年11月, 査読有り

  
• 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, 2019年11月, 査読有り

  
• 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, 2019年06月, 査読有り

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

  Seko, Atsuto; Togo, Atsushi; Tanaka, Isao

  Physical Review B, 2019年06月, 査読有り

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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, 2019年04月, 査読有り

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

  Isao Tanaka

  JOURNAL OF APPLIED PHYSICS, 2019年02月, 査読有り

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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年

  
• 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年

  
• 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, 2018年12月01日

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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, 2018年12月01日

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

  Isao Tanaka

  PHYSICAL REVIEW MATERIALS, 2018年12月, 査読有り

  
• 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, 2018年12月, 査読有り

  
• 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, 2018年12月, 査読有り

  
• 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, 2018年12月, 査読有り

  
• Materials informatics for dielectric materials

  Yuji Umeda; Hiroyuki Hayashi; Hiroki Moriwake; Isao Tanaka

  JAPANESE JOURNAL OF APPLIED PHYSICS, 2018年11月, 査読有り

  
• Data-centric science for materials innovation

  Isao Tanaka

  MRS BULLETIN, 2018年09月, 査読有り

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

  Isao Tanaka

  ENTROPY, 2018年09月, 査読有り

  
• 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, 2018年07月01日

  
• Compositional descriptor-based recommender system for the materials discovery

  Atsuto Seko; Hiroyuki Hayashi; Isao Tanaka

  Journal of Chemical Physics, 2018年06月28日

  
• 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, 2018年06月21日

  
• 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, 2018年06月15日

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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, 2018年05月01日

  
• 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, 2018年03月

  
• Descriptors for machine learning of materials data

  Atsuto Seko; Atsushi Togo; Isao Tanaka

  Nanoinformatics, 2018年01月15日, 査読有り

  
• 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, 2018年01月

  
• 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年

  
• (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年

  
• はじめに

  田中 功

  日本物理学会講演概要集, 2018年, 査読有り

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

  Joohwi Lee; Yuji Ikeda; Isao Tanaka

  npj Computational Materials, 2017年12月01日

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

  Abel Carreras; Atsushi Togo; Isao Tanaka

  COMPUTER PHYSICS COMMUNICATIONS, 2017年12月

  
• 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, 2017年11月

  
• 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, 2017年09月

  
• 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, 2017年08月

  
• 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, 2017年08月

  
• 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, 2017年07月

  
• 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, 2017年05月

  
• 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, 2017年04月

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

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

  PHYSICAL REVIEW B, 2017年04月

  
• Band structure diagram paths based on crystallography

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

  COMPUTATIONAL MATERIALS SCIENCE, 2017年02月

  
• 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, 2017年02月

  
• 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, 2017年01月

  
• 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, 2017年01月

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• 第一原理計算に基づく材料研究の新展開

  田中 功

  まてりあ, 2017年01月

  
• 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, 2017年01月

  
• 蛍石関連構造を有する二酸化チタンの減圧過程における相転移

  村田 秀信; 谷口 尚; 田中 功

  日本物理学会講演概要集, 2017年01月

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

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

  PHYSICAL REVIEW B, 2017年01月

  
• リチウムイオン電池の量子材料設計 (ミニ特集 リチウムイオン二次電池材料開発の近年の進展と展望)

  小山 幸典; 田中 功

  まてりあ = Materia Japan, 2017年01月

  
• 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, 2017年01月, 査読有り

  
• omega structure in steel: A first-principles study

  Yuji Ikeda; Isao Tanaka

  JOURNAL OF ALLOYS AND COMPOUNDS, 2016年11月, 査読有り

  
• 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, 2016年10月

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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, 2016年09月, 査読有り

  
• 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, 2016年08月, 査読有り

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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, 2016年08月, 査読有り, 招待有り

  
• 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, 2016年06月, 査読有り

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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, 2016年05月, 査読有り

  
• 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, 2016年04月, 査読有り

  
• Pure H- conduction in oxyhydrides

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  SCIENCE, 2016年03月, 査読有り

  
• 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, 2016年03月, 査読有り

  
• Stability of the omega structure of transition elements

  Yuji Ikeda; Isao Tanaka

  PHYSICAL REVIEW B, 2016年03月, 査読有り

  
• Categorization of surface polarity from a crystallographic approach

  Yoyo Hinuma; Yu Kumagai; Fumiyasu Oba; Isao Tanaka

  COMPUTATIONAL MATERIALS SCIENCE, 2016年02月, 査読有り

  
• 金属材料における塑性変形の素過程

  田中 功

  日本物理学会講演概要集, 2016年01月

  
• 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, 2016年01月

  
• 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, 2016年01月, 査読有り

  
• α-PbO2型二酸化チタン中に添加したCuの局所環境解析

  村田 秀信; 谷口 尚; 田中 功

  日本物理学会講演概要集, 2016年01月

  
• 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, 2015年11月, 査読有り

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• First principles phonon calculations in materials science

  Atsushi Togo; Isao Tanaka

  SCRIPTA MATERIALIA, 2015年11月, 査読有り

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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, 2015年09月, 査読有り

  
• 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, 2015年08月, 査読有り

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

  Atsuto Seko; Akira Takahashi; Isao Tanaka

  PHYSICAL REVIEW B, 2015年08月, 査読有り

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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, 2015年04月

  
• Li Intercalation into a beta-MnO2 Grain Boundary

  James A. Dawson; Isao Tanaka

  ACS APPLIED MATERIALS & INTERFACES, 2015年04月

  
• 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, 2015年03月

  
• Distributions of phonon lifetimes in Brillouin zones

  Atsushi Togo; Laurent Chaput; Isao Tanaka

  PHYSICAL REVIEW B, 2015年03月

  
• 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, 2015年02月

  
• Special quasirandom structure in heterovalent ionic systems

  Atsuto Seko; Isao Tanaka

  PHYSICAL REVIEW B, 2015年01月

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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, 2015年01月

  
• 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, 2015年01月

  
• 23pAJ-4 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

  田中 功; 世古 敦人; 東後 篤史

  日本物理学会講演概要集, 2015年01月, 査読有り

  
• マテリアルズ・インフォマティクスの現状と将来展望 (特集 マテリアルズ・インフォマティクス)

  田中 功; 世古 敦人

  Ceramics Japan = セラミックス : bulletin of the Ceramic Society of Japan, 2015年01月, 査読有り

  
• 第一原理計算に基づいた材料科学における機械学習の応用(統計数理・機械学習・データマイニング・一般)

  世古 敦人; 田中 功

  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, 2015年01月, 査読有り

  
• 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年, 査読有り

  
• Proton trapping in Y and Sn Co-doped BaZrO3

  James A. Dawson; Isao Tanaka

  JOURNAL OF MATERIALS CHEMISTRY A, 2015年

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

  Isao Tanaka; Atsuto Seko

  Springer Series in Materials Science, 2015年, 査読有り

  
• Efficient determination of alloy ground-state structures

  Seko Atsuto; Shitara Kazuki; Tanaka Isao

  PHYSICAL REVIEW B, 2014年11月10日, 査読有り

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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, 2014年11月

  
• Efficient determination of alloy ground-state structures

  Atsuto Seko; Kazuki Shitara; Isao Tanaka

  PHYSICAL REVIEW B, 2014年11月

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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, 2014年10月

  
• 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, 2014年10月

  
• Photocatalytic activity of alpha-PbO2-type TiO2

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

  PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 2014年10月

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

  Koretaka Yuge; Yukinori Koyama; Akihide Kuwabara; Isao Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, 2014年09月, 査読有り

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

  James A. Dawson; Isao Tanaka

  LANGMUIR, 2014年09月, 査読有り

  
• 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, 2014年08月, 査読有り

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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, 2014年07月, 査読有り

  
• Sparse representation for a potential energy surface

  Atsuto Seko; Akira Takahashi; Isao Tanaka

  PHYSICAL REVIEW B, 2014年07月, 査読有り

  
• 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, 2014年06月, 査読有り

  
• 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, 2014年06月, 査読有り

  
• 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, 2014年05月, 査読有り

  
• 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, 2014年05月, 査読有り

  
• 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, 2014年04月, 査読有り

  
• 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, 2014年03月, 査読有り

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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, 2014年03月, 査読有り

  
• 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, 2014年03月, 査読有り

  
• 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, 2014年02月18日, 査読有り

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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, 2014年02月, 査読有り

  
• 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, 2014年02月, 査読有り

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• 29pAB-5 第一原理からのフォノン計算の最近の進歩(29pAB 領域10シンポジウム:局所構造と物性 その評価と応用,領域10(誘電体,格子欠陥,X線・粒子線,フォノン))

  東後 篤史; 田中 功

  日本物理学会講演概要集, 2014年01月, 査読有り

  
• 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, 2014年01月, 査読有り

  
• 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年, 査読有り

  
• 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, 2014年01月, 査読有り

  
• Proton incorporation and trapping in ZrO2 grain boundaries

  James A. Dawson; Isao Tanaka

  JOURNAL OF MATERIALS CHEMISTRY A, 2014年, 査読有り

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

  James A. Dawson; Hungru Chen; Isao Tanaka

  PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014年, 査読有り

  
• 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年, 査読有り

  
• Local environment of silicon in cubic boron nitride

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

  JOURNAL OF APPLIED PHYSICS, 2013年12月, 査読有り

  
• 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, 2013年12月, 査読有り

  
• 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, 2013年08月07日, 査読有り

  
• 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, 2013年08月, 査読有り

  
• 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, 2013年08月, 査読有り

  
• 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, 2013年08月, 査読有り

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

  Yoyo Hinuma; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, 2013年08月, 査読有り

  
• 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, 2013年07月, 査読有り

  
• 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, 2013年07月, 査読有り

  
• 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, 2013年06月, 査読有り

  
• Evolution of crystal structures in metallic elements

  Atsushi Togo; Isao Tanaka

  PHYSICAL REVIEW B, 2013年05月, 査読有り

  
• 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, 2013年04月, 査読有り

  
• 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, 2013年04月, 査読有り

  
• 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, 2013年04月, 査読有り

  
• 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, 2013年02月, 査読有り

  
• 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, 2013年01月

  
• 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, 2013年01月

  
• 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, 2013年01月

  
• 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4(半導体,メゾスコピック系・局在))

  田中 功

  日本物理学会講演概要集, 2013年01月

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

  Minseok Choi; Fumiyasu Oba; Yu Kumagai; Isao Tanaka

  ADVANCED MATERIALS, 2013年01月, 査読有り

  
• 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, 2012年12月, 査読有り

  
• Ionization potentials of (112) and (112[over ¯]) facet surfaces of CuInSe_{2} and CuGaSe_{2}

  Yoyo Hinuma; Fumiyasu Oba; Yu Kumagai; Isao Tanaka

  Physical Review B, 2012年12月, 査読有り

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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, 2012年12月, 査読有り

  
• 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, 2012年11月, 査読有り

  
• 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, 2012年11月, 査読有り

  
• 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, 2012年10月, 査読有り

  
• Proton-Conducting Network in Lanthanum Orthophosphate

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

  JOURNAL OF PHYSICAL CHEMISTRY C, 2012年09月, 査読有り

  
• 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, 2012年06月, 査読有り

  
• Tetravalent Dysprosium in a Perovskite-Type Oxide

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

  ADVANCED MATERIALS, 2012年04月, 査読有り

  
• 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, 2012年04月, 査読有り

  
• 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, 2012年02月, 査読有り

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• 第一原理熱力学計算によるセラミックス材料の相平衡

  世古 敦人; 大場 史康; 熊谷 悠; 田中 功

  セラミックス, 2012年01月, 査読有り

  
• 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, 2012年01月, 査読有り

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• Ground-state search in multicomponent magnetic systems

  Yu Kumagai; Atsuto Seko; Fumiyasu Oba; Isao Tanaka

  PHYSICAL REVIEW B, 2012年01月, 査読有り

  この論文にアクセスする：

  
• 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, 2012年01月, 査読有り

  
• Defect chemistry of a BaZrO3 Σ3 (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年, 査読有り

  
• 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年, 査読有り

  
• 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, 2011年12月, 査読有り

  この論文にアクセスする：

  
• First-principles thermodynamics of La2O3-P2O5 pseudobinary system

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

  PHYSICAL REVIEW B, 2011年11月, 査読有り

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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, 2011年09月09日, 査読有り

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

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  PHYSICAL REVIEW B, 2011年09月09日, 査読有り

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• Phonon-phonon interactions in transition metals

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  PHYSICAL REVIEW B, 2011年09月, 査読有り

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

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  JOURNAL OF THE KOREAN PHYSICAL SOCIETY, 2011年09月, 査読有り

  
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  PHYSICAL REVIEW B, 2011年08月, 査読有り

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• Atomic and electronic structures of the SrVO3-LaAlO3 interface

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

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

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

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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

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

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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

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

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  PHYSICAL REVIEW B, 2011年04月, 査読有り

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• Electronic and structural properties of the oxygen vacancy in BaTiO3

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  APPLIED PHYSICS LETTERS, 2011年04月, 査読有り

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

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

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• 他学会における理科離れに対する教育活動の紹介 : 応用物理学会「リフレッシュ理科教室」

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

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  金属, 2010年01月

  
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  PHYSICAL REVIEW B, 2009年10月, 査読有り

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

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

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  PHYSICAL REVIEW B, 2009年08月, 査読有り

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• Preparation of porous lanthanum phosphate with templates

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

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

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

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

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

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

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• Geometric ferroelectricity in rare-earth compounds RGaO3 and RInO3

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  PHYSICAL REVIEW B, 2009年04月, 査読有り

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

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  PHYSICAL REVIEW B, 2009年04月, 査読有り

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

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  JOURNAL OF PHYSICS-CONDENSED MATTER, 2009年03月, 査読有り

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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

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  JOURNAL OF PHYSICS-CONDENSED MATTER, 2009年03月, 査読有り

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

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  JOURNAL OF PHYSICS-CONDENSED MATTER, 2009年03月, 査読有り

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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

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  JOURNAL OF PHYSICS-CONDENSED MATTER, 2009年03月, 査読有り

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

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  JOURNAL OF PHYSICS-CONDENSED MATTER, 2009年03月, 査読有り

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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

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  JOURNAL OF PHYSICS-CONDENSED MATTER, 2009年03月, 査読有り

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

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  JOURNAL OF PHYSICAL CHEMISTRY C, 2009年03月, 査読有り

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

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  PHYSICAL REVIEW B, 2009年01月, 査読有り

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

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  PHYSICAL REVIEW B, 2009年01月, 査読有り

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

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  PHYSICAL REVIEW B, 2008年12月, 査読有り

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• First principles calculations of advanced nitrides, oxides and alloys

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  SIAIONS AND NON-OXIDES, 2009年, 査読有り

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

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  MATERIALS TRANSACTIONS, 2008年11月, 査読有り

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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, 2008年10月14日, 査読有り

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

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  PHYSICAL REVIEW B, 2008年10月, 査読有り

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

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  JOURNAL OF MATERIALS SCIENCE, 2008年08月, 査読有り

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

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  JOURNAL OF PHYSICS-CONDENSED MATTER, 2008年08月, 査読有り

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• Lattice dynamics and thermodynamical properties of silicon nitride polymorphs

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  PHYSICAL REVIEW B, 2008年08月, 査読有り

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

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  PHYSICAL REVIEW B, 2008年07月, 査読有り

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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, 2008年06月, 査読有り

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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, 2008年05月01日, 査読有り

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• Transition pathway of CO2 crystals under high pressures

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  PHYSICAL REVIEW B, 2008年05月, 査読有り

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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

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  PHYSICAL REVIEW B, 2008年04月, 査読有り

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

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  MICROPOROUS AND MESOPOROUS MATERIALS, 2008年03月, 査読有り

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

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  PHYSICAL REVIEW B, 2008年03月, 査読有り

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• Structure and stability of a homologous series of tin oxides

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  PHYSICAL REVIEW LETTERS, 2008年02月, 査読有り

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

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  PHYSICAL REVIEW B, 2008年02月, 査読有り

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• First principles calculations for modern ceramic science and engineering

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  JOURNAL OF PHYSICS-CONDENSED MATTER, 2008年02月, 査読有り

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

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  MATERIALS CHEMISTRY AND PHYSICS, 2008年02月, 査読有り

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

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  JOURNAL OF SOLID STATE CHEMISTRY, 2008年01月, 査読有り

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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, 2008年01月, 査読有り

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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, 2007年11月28日, 査読有り

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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, 2007年11月, 査読有り

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

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  JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS, 2007年10月, 査読有り

  
• Structures and energetics of Ga2O3 polymorphs

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

  JOURNAL OF PHYSICS-CONDENSED MATTER, 2007年08月, 査読有り

  
• 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, 2007年07月, 査読有り

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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, 2007年05月, 査読有り

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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, 2007年03月, 査読有り

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• Microstructure of Mn-doped γ-Ga[sub 2]O[sub 3] epitaxial film on sapphire (0001) with room temperature ferromagnetism

  Rong Huang; Hiroyuki Hayashi; Fumiyasu Oba; Isao Tanaka

  Journal of Applied Physics, 2007年03月, 査読有り

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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, 2007年01月, 査読有り

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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, 2007年01月, 査読有り

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• Free energy calculations of precipitate nucleation

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

  Materials Science Forum, 2007年, 査読有り

  
• 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年, 査読有り

  
• Recent advances in new hard high-pressure nitrides

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

  ADVANCED MATERIALS, 2006年11月

  この論文にアクセスする：

  
• First-principles calculations of native defects in tin monoxide

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

  PHYSICAL REVIEW B, 2006年11月, 査読有り

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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, 2006年11月, 査読有り

  この論文にアクセスする：

  
• 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, 2006年11月, 査読有り

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

  Isao Tanaka

  RADIATION PHYSICS AND CHEMISTRY, 2006年11月, 査読有り

  
• 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, 2006年10月

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• Peak assignments of ELNES and XANES using overlap population diagrams

  Teruyasu Mizoguchi; Kazuyoshi Tatsumi; Isao Tanaka

  ULTRAMICROSCOPY, 2006年10月

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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, 2006年10月

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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, 2006年10月, 査読有り

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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, 2006年09月

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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, 2006年09月

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• Arsenic removal by hydroxyapatite-based ceramics

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

  CHEMISTRY LETTERS, 2006年08月

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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, 2006年08月

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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, 2006年08月, 査読有り

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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, 2006年06月

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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, 2006年05月, 査読有り

  
• 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, 2006年05月, 査読有り

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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, 2006年04月, 査読有り

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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, 2006年04月

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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, 2006年03月, 査読有り

  この論文にアクセスする：

  
• 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, 2006年03月, 査読有り

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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, 2006年02月

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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, 2006年02月, 査読有り

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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, 2006年02月

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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年, 査読有り

  
• 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, 2005年11月

  
• 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, 2005年09月

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

  Isao Tanaka

  DEFECTS AND DIFFUSION IN CERAMICS: AN ANNUAL RETROSPECTIVE VII, 2005年09月, 査読有り

  
• 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, 2005年08月

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• XANES and ELNES in ceramic science

  Tanaka, I; T Mizoguchi; T Yamamoto

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2005年08月

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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, 2005年07月, 査読有り

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

  T Yamamoto; T Mizoguchi; I Tanaka

  PHYSICAL REVIEW B, 2005年06月

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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, 2005年06月

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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, 2005年06月

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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, 2005年06月

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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, 2005年06月

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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, 2005年06月, 査読有り

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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, 2005年05月, 査読有り

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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, 2005年04月

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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, 2005年03月

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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, 2005年03月, 査読有り

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• ELNESの理論解析

  溝口 照康; 田中 功

  日本結晶学会誌, 2005年02月24日

  
• 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, 2005年02月

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• Ab initio lattice dynamics and phase transformations of ZrO2

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

  PHYSICAL REVIEW B, 2005年02月

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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, 2005年01月

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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, 2005年01月

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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, 2005年01月, 査読有り

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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, 2005年01月

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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年

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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年

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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, 2005年01月, 査読有り

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• Si基板上に形成したAl_2O_3薄膜のELNES解析

  溝口 照康; 木本 浩司; 田中 功

  まてりあ : 日本金属学会会報, 2004年12月20日

  
• First principles calculation of free energy on precipitate nucleation

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

  JOURNAL OF THE JAPAN INSTITUTE OF METALS, 2004年12月

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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, 2004年11月

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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, 2004年10月

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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, 2004年10月

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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, 2004年10月, 査読有り

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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, 2004年10月, 査読有り

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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, 2004年09月

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

  XZ Ke; Tanaka, I

  SOLID STATE IONICS, 2004年08月

  この論文にアクセスする：

  
• 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, 2004年07月

  この論文にアクセスする：

  
• 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, 2004年07月

  この論文にアクセスする：

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

  A Kuwabara; Tanaka, I

  JOURNAL OF PHYSICAL CHEMISTRY B, 2004年07月

  この論文にアクセスする：

  
• 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, 2004年07月

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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, 2004年07月

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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, 2004年07月

  この論文にアクセスする：

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

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

  MATERIALS TRANSACTIONS, 2004年07月

  この論文にアクセスする：

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

  Tanaka, I; Y Ikuhara

  MATERIALS TRANSACTIONS, 2004年07月

  この論文にアクセスする：

  
• 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, 2004年07月

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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, 2004年07月, 査読有り

  この論文にアクセスする：

  
• 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, 2004年07月, 査読有り

  この論文にアクセスする：

  
• 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, 2004年07月, 査読有り

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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, 2004年06月

  この論文にアクセスする：

  
• 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, 2004年06月

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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, 2004年06月

  この論文にアクセスする：

  
• 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, 2004年05月

  この論文にアクセスする：

  
• 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, 2004年05月

  この論文にアクセスする：

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

  XZ Ke; I Tanaka

  PHYSICAL REVIEW B, 2004年04月

  この論文にアクセスする：

  
• 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, 2004年03月

  この論文にアクセスする：

  
• 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, 2004年03月

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• Reduced SnO2 surfaces by first-principles calculations

  W Bergermayer; Tanaka, I

  APPLIED PHYSICS LETTERS, 2004年02月

  この論文にアクセスする：

  
• 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年

  この論文にアクセスする：

  
• 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年

  この論文にアクセスする：

  
• 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年

  
• 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年, 査読有り

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

  Mizoguchi, Teruyasu; Kunisu, Masahiro; Tanaka, Isao; Nakamura, Atsutomo; Matsunaga, Katsuyuki; Yamamoto, Takahisa; Ikuhara, Yuichi; Ching, Wai Yim

  Microscopy and Microanalysis, 2004年, 査読有り

  
• 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, 2003年11月

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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, 2003年10月

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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, 2003年08月

  この論文にアクセスする：

  
• 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, 2003年06月

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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, 2003年01月

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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, 2003年01月

  
• 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年

  この論文にアクセスする：

  
• 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年

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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年, 査読有り

  この論文にアクセスする：

  
• 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年

  この論文にアクセスする：

  
• First-principles calculations of silicon nitrides and SiAlONs

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

  ADVANCED CERAMICS AND COMPOSITES, 2003年

  この論文にアクセスする：

  
• 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年

  この論文にアクセスする：

  
• 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, 2002年10月15日, 査読有り

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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, 2002年10月

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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, 2002年10月, 査読有り

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• Energetics of hydrogen states in SrZrO3

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

  MATERIALS TRANSACTIONS, 2002年07月

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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, 2002年07月

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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, 2002年07月

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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, 2002年07月, 査読有り

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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, 2002年07月

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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, 2002年07月, 査読有り

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

  Y Ikuhara; Tanaka, I

  MATERIALS TRANSACTIONS, 2002年07月

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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, 2002年04月, 査読有り

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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, 2002年04月, 査読有り

  この論文にアクセスする：

  
• 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, 2002年01月, 査読有り

  この論文にアクセスする：

  
• Structure and properties of advanced nitrides

  WY Ching; Tanaka, I

  JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2002年01月

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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, 2002年01月

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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, 2002年01月, 査読有り

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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, 2002年01月, 査読有り

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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, 2002年01月

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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, 2002年01月

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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年

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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年, 査読有り

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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年, 査読有り

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• Chemical Bonding Analysis of AlN Polytypes by ELNES

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

  Microscopy and Microanalysis, 2002年, 査読有り

  
• 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, 2001年11月

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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, 2001年11月, 査読有り

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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, 2001年10月, 査読有り

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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, 2001年10月01日, 査読有り

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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, 2001年09月

  この論文にアクセスする：

  
• 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, 2001年09月, 査読有り

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• Intergranular glassy films in ceramics

  I. Tanaka

  Journal of the Ceramic Society of Japan, 2001年

  
• 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, 2001年07月

  この論文にアクセスする：

  
• Energetics of native defects in ZnO

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

  JOURNAL OF APPLIED PHYSICS, 2001年07月, 査読有り

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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, 2001年07月

  この論文にアクセスする：

  
• 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, 2001年06月

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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, 2001年04月

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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, 2001年04月

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• 新しいスピネル型立方晶窒化ケイ素

  田中 功; 大場 文康; 吉矢 真人; 巽 一厳; W.Y. Ching

  応用物理, 2001年04月, 査読有り

  
• Prediction of spinel structure and properties of single and double nitrides - art. no. 064102

  Isao Tanaka

  PHYSICAL REVIEW B, 2001年04月, 査読有り

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

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

  APPLIED PHYSICS LETTERS, 2001年03月, 査読有り

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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, 2001年02月, 査読有り

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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, 2001年02月

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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, 2001年01月09日, 査読有り

  この論文にアクセスする：

  
• Ab initio study of symmetric tilt boundaries in ZnO

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

  PHYSICAL REVIEW B, 2001年01月, 査読有り

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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, 2001年01月

  この論文にアクセスする：

  
• 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年

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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年

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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年, 査読有り

  この論文にアクセスする：

  
• 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年, 査読有り

  
• 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年, 査読有り

  
• 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年, 査読有り

  
• 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年, 査読有り

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

  M Yoshiya; Tanaka, I; H Adachi

  ACTA MATERIALIA, 2000年12月

  この論文にアクセスする：

  
• New fluoride cathodes for rechargeable lithium batteries

  Y Koyama; Tanaka, I; H Adachi

  JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2000年10月

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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, 2000年10月, 査読有り

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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, 2000年08月

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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, 2000年07月, 査読有り

  この論文にアクセスする：

  
• 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, 2000年07月

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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, 2000年04月, 査読有り

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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, 2000年04月, 査読有り

  
• Intergranular glassy films in Si sub 3 N sub 4-SiO sub 2 ceramics: Morphology, chemistry, atomic structure and energetics

  Tanaka, I; Yoshiya, M; Nishitani, SR; Adachi, H

  Ceramic Transactions(USA), 2000年04月, 査読有り

  
• Molecular dynamics study of intergranular glassy film in high-purity Si₃N₄-SiO₂ ceramics

  Isao Tanaka

  GRAIN BOUNDARY ENGINEERING IN CERAMICS - FROM GRAIN BOUNDARY PHENOMENA TO GRAIN BOUNDARY QUANTUM STRUCTURES, 2000年04月, 査読有り

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

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

  Phys. Rev. B, 2000年04月, 査読有り

  
• 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, 2000年02月, 査読有り

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• Mechanism of electrical conductivity of transparent InGaZnO4

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

  PHYSICAL REVIEW B, 2000年01月

  この論文にアクセスする：

  
• 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, 2000年01月, 査読有り

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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, 2000年01月

  この論文にアクセスする：

  
• 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年

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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年

  この論文にアクセスする：

  
• 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年

  
• 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年, 査読有り

  
• Valence band structure of ZnO (10(1)over-bar0) surface by cluster calculation

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

  JOURNAL OF ELECTROCERAMICS, 1999年12月, 査読有り

  この論文にアクセスする：

  
• 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, 1999年11月

  この論文にアクセスする：

  
• First-principles calculations of electron-energy-loss near-edge structure and near-edge x-ray-absorption fine structure of BN polytypes using model clusters

  Isao Tanaka

  PHYSICAL REVIEW B, 1999年08月, 査読有り

  
• Calculation of multiplet structure of ruby using explicit effective Hamiltonian

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

  MATERIALS TRANSACTIONS JIM, 1999年05月, 査読有り

  
• Theoretical calculation for multiplet structure of chromium ion pair in ruby

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

  MATERIALS TRANSACTIONS JIM, 1999年05月, 査読有り

  
• 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, 1999年04月, 査読有り

  
• 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, 1999年04月, 査読有り

  
• First principles calculation of chemical shifts in ELNES/NEXAFS of titanium oxides

  Isao Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, 1999年04月, 査読有り

  
• Chemical bonding of oxygen in intergranular amorphous layers in high-purity beta-SiC ceramics

  Kaneko K; Yoshiya M; Tanaka I; Tsurekawa S

  ACTA MATERIALIA, 1999年03月, 査読有り

  
• 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年

  この論文にアクセスする：

  
• Chemical bonding in titanium-metalloid compounds

  Masataka Mizuno; Isao Tanaka; Hirohiko Adachi

  Physical Review B - Condensed Matter and Materials Physics, 1999年, 査読有り

  
• Electron structure of amorphous SiO₂ under strong electric field using DV-Xα

  Isao Tanaka

  JOURNAL OF NON-CRYSTALLINE SOLIDS, 1999年, 査読有り

  
• 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年, 査読有り

  
• Interesting physical properties of the new spinel phase of Si₃N₄ and C₃N₄

  Isao Tanaka

  PHYSICAL REVIEW LETTERS, 1999年, 査読有り

  
• 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年, 査読有り

  
• Theoretical calculation of oxygen K electron-energy-loss near-edge structures of Si-doped MgO

  Isao Tanaka

  JOURNAL OF PHYSICS-CONDENSED MATTER, 1999年, 査読有り

  
• 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年, 査読有り

  
• Six-fold coordinated silicon at grain boundaries in sintered α-Al2O3

  K. Kaneko; I. Tanaka; M. Yoshiya

  Appl. Phys. Lett., 1998年04月, 査読有り

  
• 固体の機能発現単位としてのクラスター 固体の機能とクラスターの電子状態

  足立 裕彦; 田中 功

  まてりあ, 1998年

  
• 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年

  
• Cluster calculation of oxygen K-edge electron-energy-loss near-edge structure of NiO

  Isao Tanaka

  PHYSICAL REVIEW B, 1998年, 査読有り

  
• 材料科学の成果と展望 クラスターモデルによる電子状態と化学結合の理論

  足立 裕彦; 田中 功

  まてりあ, 1997年

  
• 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年, 査読有り

  
• 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, 1996年08月, 査読有り

  
• 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, 1996年07月14日, 査読有り

  
• 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年, 査読有り

  
• NEAR-EDGE X-RAY-ABSORPTION FINE-STRUCTURE OF CRYSTALLINE SILICON DIOXIDES

  TANAKA, I; J KAWAI; H ADACHI

  PHYSICAL REVIEW B, 1995年10月, 査読有り

  
• CORRELATION BETWEEN THE ELECTRONIC-STRUCTURE AND HYDROGEN ABSORPTION CHARACTERISTICS IN RARE-EARTH INTERMETALLIC COMPOUND HYDRIDES

  Isao Tanaka

  JOURNAL OF ALLOYS AND COMPOUNDS, 1995年02月

  
• 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年, 査読有り

  
• Near-edge x-ray-absorption fine structure of crystalline silicon dioxides

  Isao Tanaka; Jun Kawai; Hirohiko Adachi

  Physical Review B, 1995年, 査読有り

  
• 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, 1993年11月, 査読有り