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Tanaka Isao  田中 功

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TANAKA Isao  田中 功

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Researcher Number 70183861
Other IDs
External Links
Affiliation (Current) 2022: 京都大学, 工学研究科, 教授
Affiliation (based on the past Project Information) *help 2016 – 2022: 京都大学, 工学研究科, 教授
2012 – 2015: 京都大学, 工学(系)研究科(研究院), 教授
2009 – 2011: Kyoto University, 大学院・工学研究科, 教授
2003 – 2011: Kyoto Univ., Engineering, Professor, 工学研究科, 教授
2004: 京都大学, 工学研究所, 教授 … More
2001 – 2003: 京都大学, 大学院・エネルギー科学研究科, 助教授
2001 – 2003: Kyoto Univ., Engineering, Assoc. Prof., 工学研究科, 助教授
2000 – 2001: 京都大学, 大学院・工学研究科, 助教授
1996 – 2000: 京都大学, エネルギー科学研究科, 助教授
1999: 京都大学, 大学院・エネルギー化学研究科, 助教授
1999: 京都大学, 大学院・エネルギー科学研究科, 助教授
1999: 京都大学, 工学研究所, 助教授
1999: 京都大学, 工学研究科, 助教授
1997: 京都大学, エネルギー研究科, 助教授
1996: Kyoto Univ., Energy Science, Assoc.Professor, 助教授
1996: Kyoto Univ., Energy Science, Assoc.Professor, 工学研究科, 助教授
1995: 京都大学, 工学研究科, 助手
1993 – 1994: Kyoto University, Faculty of Engineering, Research Associte, 工学部, 助手
1991 – 1992: 大阪大学, 産業科学研究所, 助手 Less
Review Section/Research Field
Principal Investigator
Inorganic materials/Physical properties / Science and Engineering / Physical properties of metals / Medium-sized Section 26:Materials engineering and related fields / Physical properties of metals/Metal-base materials / Material processing/treatments / Inorganic materials/Physical properties
Except Principal Investigator
Science and Engineering / Physical properties of metals / 無機工業化学 … More / Physical properties of metals/Metal-base materials / 無機工業化学・無機材料工学 / 金属材料(含表面処理・腐食防食) / Structural/Functional materials / Metal making engineering / Nuclear engineering / 工業分析化学 / Inorganic materials/Physical properties Less
Keywords
Principal Investigator
第一原理計算 / 窒化ケイ素 / 電子顕微鏡 / ナノ構造情報 / インフォマティクス / EELS / セラミックス / 熱力学 / ナノ材料科学 / 材料設計・創出 … More / インフォマティックス / 機械学習 / 粒界 / X線吸収スペクトル / 統計熱力学 / 表面 / 統計力学 / ELNES / MgO / ceramics / 薄膜 / 固溶体 / first-principles calculation / 統計熱力学計算 / 並列合成実験 / 熱処理 / 焼結 / ガラス相 / ファンデルワールスカ / 界面構造 / DV-Xα分子軌道法 / リチウム電池 / 固体電解質 / 電極欠陥 / 電子線エネルギー損失分光 / 酸素欠陥 / 電極材料 / 遷移金属酸化物 / リチウム2次電池 / FLAPW法 / バンド計算 / 正極材料 / 機能元素 / 界面 / 状態図 / 自由エネルギー / 表面・界面 / 酸化チタン / 光触媒 / 相安定性 / 点欠陥 / 格子振動 / 酸化物 / ノンストイキオメトリ / セラミックス固溶体 / 平衡状態図 / 高イオン伝導結晶 / 酸化物固溶体 / 分子動力学法 / データマイニング / エキシトン / フォノン / 電子エネルギー分光損失 / フォノン相互作用 / 炭化ケイ素 / 分子軌道計算 / Si_3N_4 / SiC / TEM / molecular orbital / 酸化マグネシウム / DV-X_α法 / 格子静力学計算 / DV-Xα法 / シリコン不純物 / electron microscopy / SiィイD23ィエD2N4 / DV-Xalpha method / lattice statics / 電子論 / 高圧 / 溶質元素 / First principles calculation / silicon nitride / electron theory / X ray absorption spectrum / high pressure / 酸化スズ / 分子吸着 / ガスセンサ / 準安定相 / tin oxide / surface / molecule adsorption / gas sensor / thin film / solid solution / metastable phase / 計算状態図 / 相転移 / 状態図計算 / 比熱 / phase diagram calculation / thermodynamics / phase transition / データサイエンス / 2次電池正極材料 / 材料探索 / 結晶構造記述子 / 新規物質探索 / 推薦システム / 合成条件予測モデル / 新物質探索 / 化学組成推薦システム / データ科学 / 無機化合物探索 / マテリアルズ・インフォマティクス / 髙イオン伝導体 / 第一原理MD計算 / 高イオン伝導体 … More
Except Principal Investigator
第一原理計算 / セラミックス / 電子論 / 格子欠陥 / EELS / ESCA / セラミックス系ナノ複合材料 / アルミナ / 原子空孔 / 機能性構造用セラミックス / ナノ複合材料の界面構造 / Niナノ複合材料 / Wナノ複合材料 / セラミックスのナノ構造制御 / ナノ複合化プロセス / ナノ粒子分散強化 / 高強度セラミックス / イオニクス素子 / 全固体 / 化学電池 / 酸化物 / 粒界 / 溶質元素 / ペロブスカイト / 点欠陥 / 電子構造 / TiC-Ni / Ti-Si-C / Al_2O_3 / XPS / XANES / 材料設計 / FELS / DV-Xalpha method / 分子軌道法 / First principles / ceramics / Moナノ複合材料 / 英文書籍 / とりまとめ / リチウム電池 / 燃料電池 / 金属水素化物電池 / 公開シンポジウム / 全体会議 / 総括班会議 / ニュースレター / 新聞掲載記事 / ホームページ / 新聞掲載 / リチウムイオン / プロトン / 企画調査 / 班会議 / エネルギー / 表面 / 格子欠陷 / 電子分光 / マルチフェロイック / バンドギャップ / 回帰手法 / ナノ機能元素 / STEM / 理論計算 / 表面原子 / 電子状態 / 機能元素 / 電子顕微鏡 / ドーパント / 界面 / 原子配列・電子状態 / 転位 / 原子・電子構造 / 理論計算表面原子 / 燃焼合成 / ガス圧燃焼焼結 / Ti_3SiC_2 / NbN_<1-X>Cx / NbN_<1-x>C_x / Ti窒化 / TiN / セラミックスー金属複合材料 / セラミックスー金属間化合物複合材料 / TiCーMi / TiーSiーC / combustion synthesis / gas-pressure combustion sintering / functionally gradient material / Ti3SiC2 / NbN_1-xCx / 複合材料 / ナノ複合材料 / ナノコンポジット / 機械的特性 / 窒化珪素 / 炭化珪素 / 高温強度 / 破壊靭性 / サイアロン / ナノ構造制御 / 超強度セラミックス / 高温強靭性セラミックス / ミクロ及びナノ構造解析 / SiCナノ複合材 / ホットプレス焼結 / Ceramics / Composite / Nanocomposite / Mechanical properties / Si_3N_4 / Nanostructure / Micro-nano hybrid / DV-X_α法 / ESCS / 蛍光X線 / 量子化学 / XES / Materials design / 結晶格子欠陥 / 超微粒子 / 界面構造 / ポジトロン消滅測定 / オージェ分光 / オージェ / 陽電子 / Crystalline defects / ultrafine particle / interface structure / positron annihilation / Auger spectroscopy / モリブデン合金めっき / 誘起共析型合金めっき / ポリモリブデン酸 / 原子構造解析 / X線回折法 / 因子分析法 / 小角散乱法 / 錯体構造 / 合金電析 / ラマンスペクトル / 誘起共析 / Ni-Mo合金 / 平衡定数 / 錯体生成 / めっき / X線異常散乱 / 因子分析 / クエン酸錯体 / アンモニウムイオン / X線異常散乱法 / ポリモリブデン酸イオン / 合金めっき / 構造解析 / Mo-Niめっき / EXAFS法 / Electroplated Mo-Ni alloy / Induced codeposition / Poly-molybdate ion / Atomic structure / X-ray diffraction / Factor analysis / Small angle x-ray scattering / Molybdenum complex / 金属ホウ化物 / DV-X_α / 分子軌道計算 / クラスター法 / 化学結合 / DV-Xα法 / Metal borides / molecular orbitals / cluster method / electronic states / chemical bondings / 陽電子寿命 / 溶質原子 / oxides / dopant / solute / impurity / vacancy / positron lifetime / ナノ構造解析 / 電子エネルギー損失分光 / X線広領域吸収端微細構造解析 / 照射損傷 / 粒子線誘起発光 / 放射線有効利用 / レーザープローブ分析 / 電子線エネルギー損失分光 / X線広域吸収端微細構造分析 / Nano-structure analysis / Electron Energy loss spectroscopy / EXAFS / Radiation damage / Lattice defects / Energetic particle induced luminescence / Effective utilization of Radiation / Laser probe analysis / 遷移金属 / X線吸収スペクトル / ソフトウェア / transition metal / electron theory / X ray absorption spectrum / software / molecular orbital method / 窒化物半導体 / 薄膜 / ドーピング Less
  • Research Projects

    (43 results)
  • Research Products

    (251 results)
  • Co-Researchers

    (91 People)
  •  広大な化学組成空間からの新しい高イオン伝導体の創出と指導原理の獲得Principal Investigator

    • Principal Investigator
      田中 功
    • Project Period (FY)
      2021 – 2024
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Review Section
      Medium-sized Section 26:Materials engineering and related fields
    • Research Institution
      Kyoto University
  •  データ科学に基づく新奇な無機化合物探索の実践Principal Investigator

    • Principal Investigator
      田中 功
    • Project Period (FY)
      2019 – 2021
    • Research Category
      Grant-in-Aid for Challenging Research (Exploratory)
    • Review Section
      Medium-sized Section 26:Materials engineering and related fields
    • Research Institution
      Kyoto University
  •  ナノ構造情報のフロンティア開拓-材料科学の新展開Principal Investigator

    • Principal Investigator
      田中 功
    • Project Period (FY)
      2018
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Research Institution
      Kyoto University
  •  Materials informatics from first-principles calculationPrincipal Investigator

    • Principal Investigator
      TANAKA ISAO
    • Project Period (FY)
      2018 – 2020
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Review Section
      Medium-sized Section 26:Materials engineering and related fields
    • Research Institution
      Kyoto University
  •  In silico design, synthesis, and device fabrication of novel nitride semiconductors

    • Principal Investigator
      Oba Fumiyasu
    • Project Period (FY)
      2017 – 2020
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Inorganic materials/Physical properties
    • Research Institution
      Tokyo Institute of Technology
  •  Exploration of nanostructure-property relationships for materials innovationPrincipal Investigator

    • Principal Investigator
      TANAKA Isao
    • Project Period (FY)
      2015 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Kyoto University
  •  Materials informatics from first-principlesPrincipal Investigator

    • Principal Investigator
      Tanaka Isao
    • Project Period (FY)
      2015 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical properties of metals/Metal-base materials
    • Research Institution
      Kyoto University
  •  第一原理計算による複合ペロブスカイト酸化物材料の定量設計Host Researcher

    • Host Researcher
      田中 功
    • Project Period (FY)
      2014 – 2016
    • Research Category
      Grant-in-Aid for JSPS Fellows
    • Research Field
      Physical properties of metals/Metal-base materials
    • Research Institution
      Kyoto University
  •  Development of local atomic environment analysis method through core exciton spectraPrincipal Investigator

    • Principal Investigator
      Tanaka Isao
    • Project Period (FY)
      2014 – 2015
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Physical properties of metals/Metal-base materials
    • Research Institution
      Kyoto University
  •  多重強秩序を示す溶質元素添加ビスマス鉄酸化物の第一原理計算と材料設計Host Researcher

    • Host Researcher
      田中 功
    • Project Period (FY)
      2013 – 2014
    • Research Category
      Grant-in-Aid for JSPS Fellows
    • Research Field
      Physical properties of metals
    • Research Institution
      Kyoto University
  •  Exploration of nanostructure-property relationships for materials innovationArea Organizer

    • Area Organizer
      田中 功
    • Project Period (FY)
      2013 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
  •  Exploration of nanostructure - property relationships for materials innovationPrincipal Investigator

    • Principal Investigator
      TANAKA Isao
    • Project Period (FY)
      2013 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Kyoto University
  •  Exploration of nanostructure-property relationshipsPrincipal Investigator

    • Principal Investigator
      Tanaka Isao
    • Project Period (FY)
      2013 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Kyoto University
  •  First principles investigation of high ionic conductivity in ionic crystalsPrincipal Investigator

    • Principal Investigator
      TANAKA Isao
    • Project Period (FY)
      2012 – 2013
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Physical properties of metals
    • Research Institution
      Kyoto University
  •  Structure and phase stability of alloys based on systematic first principles thermodynamics calculationsPrincipal Investigator

    • Principal Investigator
      TANAKA Isao
    • Project Period (FY)
      2011 – 2013
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical properties of metals
    • Research Institution
      Kyoto University
  •  First principles thermodynamics in nonstoichiometric oxidesPrincipal Investigator

    • Principal Investigator
      TANAKA Isao
    • Project Period (FY)
      2008 – 2010
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical properties of metals
    • Research Institution
      Kyoto University
  •  Nano Materials Science for Atomic Scale Modification

    • Principal Investigator
      IKUHARA Yuichi
    • Project Period (FY)
      2007 – 2012
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
  •  Atomic scale modification from first-principles thermodynamicsPrincipal Investigator

    • Principal Investigator
      TANAKA Isao
    • Project Period (FY)
      2007 – 2011
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Kyoto University
  •  酸化チタンへの水素修飾効果の第一原理熱力学Principal Investigator

    • Principal Investigator
      田中 功
    • Project Period (FY)
      2007
    • Research Category
      Grant-in-Aid for Exploratory Research
    • Research Field
      Physical properties of metals
    • Research Institution
      Kyoto University
  •  First-principles thermodynamical calculations and experimental confirmation of the phase diagrams of ceramic systemsPrincipal Investigator

    • Principal Investigator
      TANAKA Isao
    • Project Period (FY)
      2006 – 2007
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical properties of metals
    • Research Institution
      Kyoto University
  •  Computational design and fabrication of novel functional materials based on tin oxidePrincipal Investigator

    • Principal Investigator
      TANAKA Isao
    • Project Period (FY)
      2004 – 2005
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Inorganic materials/Physical properties
    • Research Institution
      KYOTO UNIVERSITY
  •  Materials design and development of new spinel silicon nitridesPrincipal Investigator

    • Principal Investigator
      TANAKA Isao
    • Project Period (FY)
      2002 – 2003
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Inorganic materials/Physical properties
    • Research Institution
      KYOTO UNIVERSITY
  •  Development of ab-initio software for interpretation of electronic spectra

    • Principal Investigator
      ADACHI Hirohiko
    • Project Period (FY)
      2002 – 2003
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      工業分析化学
    • Research Institution
      KYOTO UNIVERSITY
  •  Chemical reaction control in nano-area by radiation -transformation of radiation physics to radiation chemistry -

    • Principal Investigator
      TANABE Tetsuo
    • Project Period (FY)
      2001 – 2003
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Nuclear engineering
    • Research Institution
      Nagoya University
  •  局在量子構造に基づいた新しい材料機能創出技術の構築

    • Principal Investigator
      足立 裕彦
    • Project Period (FY)
      2000 – 2004
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Kyoto University
  •  局在量子構造探求のための研究基盤の体系化

    • Principal Investigator
      足立 裕彦
    • Project Period (FY)
      2000 – 2004
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Kyoto University
  •  Quantitative evaluation of vacancy formation energy in metal oxides

    • Principal Investigator
      ADACHI Hirohiko
    • Project Period (FY)
      2000 – 2001
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical properties of metals
    • Research Institution
      KYOTO UNIVERSITY
  •  イオニクス素子の全固体化にむけた基礎研究

    • Principal Investigator
      南 努
    • Project Period (FY)
      1999 – 2004
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Osaka Prefecture University
  •  全固体イオニクス素子の量子材料設計Principal Investigator

    • Principal Investigator
      田中 功
    • Project Period (FY)
      1999 – 2003
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Kyoto University
  •  イオニクス素子の全固体化にむけた基礎研究

    • Principal Investigator
      南 努
    • Project Period (FY)
      1999
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      無機工業化学
    • Research Institution
      Osaka Prefecture University
  •  Electronic states of metalloid-clusters in solids

    • Principal Investigator
      ADACHI Hirohiko
    • Project Period (FY)
      1998 – 1999
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical properties of metals
    • Research Institution
      KYOTO UNIVERSITY
  •  Grain boundary bondings in ceramics by spatially resolved EELSPrincipal Investigator

    • Principal Investigator
      TANAKA Isao
    • Project Period (FY)
      1998 – 1999
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Inorganic materials/Physical properties
    • Research Institution
      KYOTO UNIVERSITY
  •  セラミックス界面不純物の化学結合論-クラスター法による理論計算-Principal Investigator

    • Principal Investigator
      田中 功
    • Project Period (FY)
      1997
    • Research Category
      Grant-in-Aid for Exploratory Research
    • Research Field
      Inorganic materials/Physical properties
    • Research Institution
      Kyoto University
  •  The Structure of Poly-molybdate Ions and It's Relevance to the Electroplating of Molybdenum Alloy

    • Principal Investigator
      AWAKURA Yasuhiro
    • Project Period (FY)
      1997 – 1999
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Metal making engineering
    • Research Institution
      KYOTO UNIVERSITY
  •  Microscopic characterization of metallic materials by the combination of DV-Xalpha calculation and model experiments.

    • Principal Investigator
      ADACHI Hirohiko
    • Project Period (FY)
      1996 – 1997
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical properties of metals
    • Research Institution
      KYOTO UNIVERSITY
  •  Theoretical calculation and experimental investigation of interganular van-der Waals forces in ceramicsPrincipal Investigator

    • Principal Investigator
      TANAKA Isao
    • Project Period (FY)
      1996
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Inorganic materials/Physical properties
    • Research Institution
      KYOTO UNIVERSITY
  •  窒化ケイ素セラミックスの粒界ガラス相の性状と高温強度Principal Investigator

    • Principal Investigator
      田中 功
    • Project Period (FY)
      1995
    • Research Category
      Grant-in-Aid for General Scientific Research (C)
    • Research Field
      Inorganic materials/Physical properties
    • Research Institution
      Kyoto University
  •  Development of a computer software for design and characterization of new materials on the basis of first principles calculations

    • Principal Investigator
      ADACHI Hirohiko
    • Project Period (FY)
      1995 – 1996
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Structural/Functional materials
    • Research Institution
      KYOTO UNIVERSITY
  •  窒化ケイ素セラミックスの熱処理による耐熱・強靱化過程Principal Investigator

    • Principal Investigator
      田中 功
    • Project Period (FY)
      1994
    • Research Category
      Grant-in-Aid for General Scientific Research (C)
    • Research Field
      Material processing/treatments
    • Research Institution
      Kyoto University
  •  セラミックナノコポジットの界面構造制御による新機能付与

    • Principal Investigator
      NIIHARA Koichi
    • Project Period (FY)
      1991
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Osaka University
  •  セラミックナノコンポジットの界面構造制御による新機能付与

    • Principal Investigator
      新原 晧一
    • Project Period (FY)
      1991 – 1992
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Osaka University
  •  ANALYSIS OF COMBUSTION SYNTHESIS PROCESS

    • Principal Investigator
      MIYAMOTO Yoshinari
    • Project Period (FY)
      1991 – 1992
    • Research Category
      Grant-in-Aid for General Scientific Research (B)
    • Research Field
      無機工業化学・無機材料工学
    • Research Institution
      Osaka University
  •  Development of Ceramic Based Nanocomposites with High Toughness and Strength at High Temperatures

    • Principal Investigator
      NIIHARA Koichi
    • Project Period (FY)
      1991 – 1993
    • Research Category
      Grant-in-Aid for Developmental Scientific Research (B)
    • Research Field
      金属材料(含表面処理・腐食防食)
    • Research Institution
      Osaka University

All 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 Other

All Journal Article Presentation Book

  • [Book] Nanoinfomatics2018

    • Author(s)
      Tanaka, I
    • Total Pages
      298
    • Publisher
      Springer
    • ISBN
      9789811076176
    • Data Source
      KAKENHI-INTERNATIONAL-15K21748
  • [Book] Nanoinformatics2018

    • Author(s)
      TANAKA, I.
    • Total Pages
      298
    • Publisher
      Springer
    • ISBN
      9789811076176
    • Data Source
      KAKENHI-ORGANIZER-25106001
  • [Journal Article] Synthesis-condition recommender system discovers novel inorganic oxides2022

    • Author(s)
      Hiroyuki Hayashi,Keita Kouzai,Yuta Morimitsu and Isao Tanaka
    • Journal Title

      J. Am. Ceram. Soc.

      Volume: 105(2) Pages: 853-861

    • DOI

      10.1111/jace.18113

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19K22054, KAKENHI-PROJECT-20H02423
  • [Journal Article] Oxide-ion diffusion in brownmillerite-type Ca2AlMnO5+δ from first-principles calculations2022

    • Author(s)
      Ushio Matsumoto, Akihide Kuwabara, Craig A. J. Fisher, Hiroki Moriwake and Isao Tanaka
    • Journal Title

      J. Phys. Chem. Chem. Phys.

      Volume: 24 Pages: 1503-1509

    • DOI

      10.1039/d1cp05174a

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21H04621
  • [Journal Article] Synthesis-condition recommender system discovers novel inorganic oxides2022

    • Author(s)
      Hiroyuki Hayashi,Keita Kouzai,Yuta Morimitsu and Isao Tanaka
    • Journal Title

      J. American Ceramic Society

      Volume: 105(2) Pages: 853-861

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21H04621
  • [Journal Article] Cooperative Oxide-Ion Transport in Pyrochlore Y2Ti2O7: A First-Principles Molecular Dynamics Study2021

    • Author(s)
      Matsumoto Ushio、Ogawa Takafumi、Fisher Craig A. J.、Kitaoka Satoshi、Tanaka Isao
    • Journal Title

      J. Phys. Chem. C

      Volume: 125 Pages: 20460-20467

    • DOI

      10.1021/acs.jpcc.1c03610

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19H05792, KAKENHI-PROJECT-21H04621, KAKENHI-PROJECT-21K04648
  • [Journal Article] First-Principles Study on the Stability of Weberite-Type, Pyrochlore, and Defect-Fluorite Structures of A23+B24+O7 (A = Lu3+&#8211;La3+, B = Zr4+, Hf4+, Sn4+, and Ti4+)2020

    • Author(s)
      Matsumoto Ushio、Ogawa Takafumi、Kitaoka Satoshi、Moriwake Hiroki、Tanaka Isao
    • Journal Title

      J. Phys. Chem. C

      Volume: 124 Pages: 20555-20562

    • DOI

      10.1021/acs.jpcc.0c05443

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19H05792, KAKENHI-PROJECT-18H03843
  • [Journal Article] Application of machine learning potentials to predict grain boundary properties in fcc elemental metals2020

    • Author(s)
      Takayuki Nishiyama, Atsuto Seko, and Isao Tanaka
    • Journal Title

      Phys. Rev. Materials 4, 123607 (2020)

      Volume: 4 Pages: 123607-123607

    • DOI

      10.1103/physrevmaterials.4.123607

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-19K22054, KAKENHI-PLANNED-19H05787, KAKENHI-PROJECT-18H03843, KAKENHI-PROJECT-19H02419
  • [Journal Article] Solution effect on improved structural compatibility of NiTi-based alloys by systematic first-principles calculations2019

    • Author(s)
      Lee, Joohwi, Ikeda, Yuji and Isao Tanaka
    • Journal Title

      JOURNAL OF APPLIED PHYSICS

      Volume: 125(5) Pages: 055106-055106

    • DOI

      10.1063/1.5051630

    • NAID

      120006767914

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H03843
  • [Journal Article] Temperature-dependent phonon spectra of magnetic random solid solutions2018

    • Author(s)
      Ikeda, Y, Kormann, F, Dutta, B, Carreras, A, Seko, A, Neugebauer, J and Tanaka, I
    • Journal Title

      npj Computational Materials

      Volume: 4 Pages: 7-7

    • DOI

      10.1038/s41524-018-0063-1

    • NAID

      120006523830

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-16K18228
  • [Journal Article] Matrix- and Tensor-based Recommender Systems for the Discovery of Currently Unknown Inorganic Compounds2018

    • Author(s)
      Seko, A, Hayashi, H, Kashima, H and Tanaka, I
    • Journal Title

      Physical Review Materials

      Volume: 2-1 Pages: 013805-013805

    • DOI

      10.1103/physrevmaterials.2.013805

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-15H01704
  • [Journal Article] First-principles screening of structural properties of intermetallic compounds on martensitic transformation2017

    • Author(s)
      Lee, J, Ikeda, Y, and Tanaka I
    • Journal Title

      npj Computational Materials

      Volume: 3 Pages: 52-52

    • DOI

      10.1038/s41524-017-0053-8

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-16K18228
  • [Journal Article] Comparison of approximations in density functional theory calculations: Energetics and structure of binary oxides2017

    • Author(s)
      Hinuma, Y, Hayashi, H, Kumagai, Y, Tanaka, I and Oba, F
    • Journal Title

      PHYSICAL REVIEW B

      Volume: 96-9 Pages: 094102-094102

    • DOI

      10.1103/physrevb.96.094102

    • NAID

      120006582625

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] Band alignment of semiconductors and insulators using dielectric-dependent hybrid functionals: Toward high-throughput evaluation2017

    • Author(s)
      Y. Hinuma, Y. Kumagai, I. Tanaka, and F. Oba
    • Journal Title

      PHYSICAL REVIEW B

      Volume: 95 Pages: 075302-075302

    • DOI

      10.1103/physrevb.95.075302

    • NAID

      120006582584

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15H04125, KAKENHI-PROJECT-15H05541, KAKENHI-PLANNED-25106005
  • [Journal Article] Conceptual and practical bases for the high accuracy of machine learning interatomic potential2017

    • Author(s)
      Takahashi, A, Seko, A and Tanaka, I
    • Journal Title

      Phys. Rev. Materials

      Volume: 1-6 Pages: 063801-063801

    • DOI

      10.1103/physrevmaterials.1.063801

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-15H04116
  • [Journal Article] Band structure diagram paths based on crystallography2017

    • Author(s)
      Y. Hinuma, G. Pizzi, Y. Kumagai, F. Oba, and I. Tanaka
    • Journal Title

      COMPUTATIONAL MATERIALS SCIENCE

      Volume: 128 Pages: 140-184

    • DOI

      10.1016/j.commatsci.2016.10.015

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04125, KAKENHI-PROJECT-15H05541, KAKENHI-PLANNED-25106005
  • [Journal Article] Discovery of a novel Sn(II)-based oxide β-SnMoO4 for daylight-driven photocatalysis2017

    • Author(s)
      H. Hayashi, S. Katayama, T. Komura, Y. Hinuma, T. Yokoyama, K. Mibu, F. Oba and I. Tanaka
    • Journal Title

      ADVANCED SCIENCE

      Volume: 4-1 Pages: 1600246-1600246

    • DOI

      10.1002/advs.201600246

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PROJECT-15H02286, KAKENHI-PROJECT-15H04125, KAKENHI-PLANNED-25106005
  • [Journal Article] DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations2017

    • Author(s)
      Carreras, A, Togo, A and Tanaka, I
    • Journal Title

      COMPUTER PHYSICS COMMUNICATIONS

      Volume: 221 Pages: 221-234

    • DOI

      10.1016/j.cpc.2017.08.017

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] First-Principles Selection of Solute Elements for Er-Stabilized Bi2O3 Oxide-Ion Conductor with Improved Long-Term Stability at Moderate Temperatures2017

    • Author(s)
      Shitara, K, Moriasa, T, Sumitani, A, Seko, A, Hayashi, H, Koyama, Y, Huang, R, Han, DL, Moriwake, H and Tanaka I
    • Journal Title

      Chemistry of Materials

      Volume: 29-8 Pages: 3763-3768

    • DOI

      10.1021/acs.chemmater.7b00846

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25106005, KAKENHI-PLANNED-25106008, KAKENHI-PROJECT-15H02286
  • [Journal Article] Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis2016

    • Author(s)
      H. Hinuma, T. Hatakeama, Y. Kumagai, LA. Burton, H. Sato, Y. Muraba, S. Iimura, H. HIramatsu, I. Tanaka and H. Hosono
    • Journal Title

      Nature communications

      Volume: 7 Pages: 11962-11962

    • DOI

      10.1038/ncomms11962

    • NAID

      120005770761

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PLANNED-25106005, KAKENHI-PLANNED-25106007, KAKENHI-PROJECT-15H04125, KAKENHI-PROJECT-15H05541, KAKENHI-PROJECT-14F04792
  • [Journal Article] Impacts of first principles calculations in engineering ceramics2016

    • Author(s)
      I. Tanaka
    • Journal Title

      Journal of the Ceramic Society of Japan

      Volume: 124-8 Issue: 8 Pages: 791-795

    • DOI

      10.2109/jcersj2.16093

    • NAID

      130005255864

    • ISSN
      1348-6535, 1882-0743
    • Language
      Japanese
    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15H02286
  • [Journal Article] Electronic structure and defect chemistry of tin(II) complex oxide SnNb2O62016

    • Author(s)
      S. Katayama, H. Hayashi, Y. Kumagai, F. Oba and I. Tanaka
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 120-18 Pages: 9604-9611

    • DOI

      10.1021/acs.jpcc.6b01696

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-15H04125, KAKENHI-PROJECT-15H05541
  • [Journal Article] Estimation of band-gap of inorganic materials by density functional theory and machine2016

    • Author(s)
      J. Lee, A. Seko, K. Shitara, K. Nakayama, I. Tanaka
    • Journal Title

      AMTC Letters

      Volume: 5 Pages: 164-165

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-14F04376
  • [Journal Article] Predicgtion model of band gap for inorganic compounds by combination of density functional theory calculations and machine learning techniques2016

    • Author(s)
      Joohwi Lee, Atsuto Seko, Kazuki Shitara, Keita Nakayama, Isao Tanaka
    • Journal Title

      Phys. Rev. B.

      Volume: 93

    • DOI

      10.1103/physrevb.93.115104

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-14F04376
  • [Journal Article] Categorization of surface polarity from a crystallographic approach2016

    • Author(s)
      Yoyo Hinuma, Yu Kumagai, Fumiyasu Oba, and Isao Tanaka
    • Journal Title

      Computational Materials Science

      Volume: 113 Pages: 221-230

    • DOI

      10.1016/j.commatsci.2015.11.042

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15H04125, KAKENHI-PROJECT-15H05541, KAKENHI-PLANNED-25106005
  • [Journal Article] Li Intercalation into a beta-MnO2 Grain Boundary2015

    • Author(s)
      Dawson, J., Miller, J. and Tanaka, I.
    • Journal Title

      ACS APPLIED MATERIALS & INTERFACES

      Volume: 7 Pages: 8125-8131

    • DOI

      10.1021/acsami.5b00775

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] Special quasirandom structure in heterovalent ionic systems2015

    • Author(s)
      Seko, A. and Tanaka, I.
    • Journal Title

      PHYSICAL REVIEW B

      Volume: 91 Pages: 024106-024106

    • DOI

      10.1103/physrevb.91.024106

    • NAID

      120005539356

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] First-principles interatomic potentials for ten elemental metals via compressed sensing2015

    • Author(s)
      Seko, A., Takahashi, A. and Tanaka, I.
    • Journal Title

      Physical Review B

      Volume: 92 Pages: 054113-054113

    • DOI

      10.1103/physrevb.92.054113

    • NAID

      120005690126

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-15H02286, KAKENHI-PROJECT-15H04116, KAKENHI-PROJECT-15J07315
  • [Journal Article] First-Principles Calculations of Oxygen Vacancy Formation and Metallic Behavior at a beta-MnO2 Grain Boundary2015

    • Author(s)
      Dawson, J., Chen, H. and Tanaka, I.
    • Journal Title

      ACS APPLIED MATERIALS & INTERFACES

      Volume: 7 Pages: 1726-1734

    • DOI

      10.1021/am507273c

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] First principles phonon calculations in materials science2015

    • Author(s)
      Togo, A. and Tanaka, I.
    • Journal Title

      Scripta Materialia

      Volume: 108 Pages: 1-5

    • DOI

      10.1016/j.scriptamat.2015.07.021

    • NAID

      120005676640

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-26820284
  • [Journal Article] Crystal structure, defect chemistry and oxygen ion transport of the ferroelectric perovskite, Na0.5Bi0.5TiO3: insights from first-principles calculations2015

    • Author(s)
      Dawson, J., Chen, H. and Tanaka I.
    • Journal Title

      JOURNAL OF MATERIALS CHEMISTRY A

      Volume: 3 Pages: 16574-16582

    • DOI

      10.1039/c5ta03705k

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization2015

    • Author(s)
      Atsuto Seko, Atsushi Togo, Hiroyuki Hayashi, Koji Tsuda, Laurent Chaput, Isao Tanaka
    • Journal Title

      Physical review letters

      Volume: 115 Pages: 205901-205901

    • DOI

      10.1103/physrevlett.115.205901

    • NAID

      120005670878

    • Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-24106010, KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-15H02286, KAKENHI-PROJECT-26820284
  • [Journal Article] Proton trapping in Y and Sn Co-doped BaZrO32015

    • Author(s)
      Dawson, J. and Tanaka, I.
    • Journal Title

      JOURNAL OF MATERIALS CHEMISTRY A

      Volume: 3 Pages: 10045-10051

    • DOI

      10.1039/c5ta01450f

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] Selective fabrication of n- and p-type SnO films without doping2015

    • Author(s)
      H. Hayashi, S. Katayama, R. Huang, K. Kurushima, and I. Tanaka
    • Journal Title

      PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS

      Volume: 9 Pages: 192-196

    • DOI

      10.1002/pssr.201510016

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-12J02558, KAKENHI-PROJECT-26820283, KAKENHI-PLANNED-25106005
  • [Journal Article] Epitaxial growth of tin(II) niobate with a pyrochlore structure2015

    • Author(s)
      Katayama, S., Ogawa, Y., Hahashi, H., Oba, F. and Tanaka, I.
    • Journal Title

      JOURNAL OF CRYSTAL GROWTH

      Volume: 416 Pages: 126-129

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] Protonic defects in yttria stabilized zirconia: incorporation, trapping and migration2014

    • Author(s)
      James A. Dawson, Hungru Chen and Isao Tanaka
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 16 Pages: 1814-1822

    • DOI

      10.1039/c4cp00021h

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-13F03370
  • [Journal Article] Impact of local strain on Ti-L2,3 electron energy-loss near-edge structures of BaTiO32014

    • Author(s)
      Shirou Ootsuki, Hidekazu Ikeno, Yuji Umeda, Yu Yonezawa, Hiroki Moriwake, Akihide Kuwabara, Osamu Kido, Satoko Ueda, Isao Tanaka, Yoshinori Fujikawa, and Teruyasu Mizoguchi
    • Journal Title

      MICROSCOPY

      Volume: 63 Pages: 249-253

    • DOI

      10.1093/jmicro/dfu011

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24760537, KAKENHI-PUBLICLY-26106518, KAKENHI-PROJECT-26630295, KAKENHI-PLANNED-25106003
  • [Journal Article] An Improved Method for Quantitatively Predicting the Electrochemical Stabilities of Organic Liquid Electrolytes Using Ab Initio Calculations2014

    • Author(s)
      H. Maeshima, H. Moriwake, A. Kuwabara, CAJ. Fisher and I. Tanaka
    • Journal Title

      JOURNAL OF THE ELECTROCHEMICAL SOCIETY

      Volume: 161(3)

    • DOI

      10.1149/2.069403jes

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solids2014

    • Author(s)
      Seko, Atsuto; Maekawa, Tomoya ; Tsuda, Koji and Tanaka, Isao
    • Journal Title

      PHYSICAL REVIEW B

      Volume: Vol.89 Pages: 054303-1

    • DOI

      10.1103/physrevb.89.054303

    • NAID

      120005466623

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-23246111, KAKENHI-PLANNED-24106010, KAKENHI-PLANNED-25106005
  • [Journal Article] Cluster expansion of multicomponent ionic systems with controlled accuracy: importance of long-range interactions in heterovalent ionic systems2014

    • Author(s)
      Atsuko Seko and Isao Tanaka
    • Journal Title

      JOURNAL OF PHYSICS-CONDENSED MATTER

      Volume: 26

    • DOI

      10.1088/0953-8984/26/11/115403

    • NAID

      120005624355

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] Proton incorporation and trapping in ZrO2 grain boundaries2014

    • Author(s)
      Dawson, James A.; Tanaka, Isao
    • Journal Title

      Journal of Materials Chemistry A

      Volume: Vol.2 Pages: 1400-1408

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24656370
  • [Journal Article] Sparse representation for a potential energy surface2014

    • Author(s)
      Atsuto Seko, Akira Takahashi and Isao Tanaka
    • Journal Title

      PHYSICAL REVIEW B

      Volume: 90 Pages: 024101-1

    • DOI

      10.1103/physrevb.90.024101

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] Significant Reduction in Hydration Energy for Yttria Stabilized Zirconia Grain Boundaries and the Consequences for Proton Conduction2014

    • Author(s)
      James A. Dawson and Isao Tanaka
    • Journal Title

      Langmuir

      Volume: 30 Pages: 10456-10464

    • DOI

      10.1021/la501860k

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-13F03370
  • [Journal Article] Atomic Structure of Luminescent Centers in High-Efficiency Ce-doped w-AlN Single Crystal2014

    • Author(s)
      R.Ishikawa, A.R.Lupini, F.Oba, S.D.Findlay, N.Shibata, T.Taniguchi, K.Watanabe, H.Hayashi, T.Sakai, I.Tanaka, Y.Ikuhara, and S.J.Pennycook
    • Journal Title

      SCIENTIFIC REPORTS

      Volume: 4 Pages: 3778-1

    • DOI

      10.1038/srep03778

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PROJECT-23246116, KAKENHI-PROJECT-23310096, KAKENHI-PROJECT-23686093, KAKENHI-PROJECT-24651148, KAKENHI-PLANNED-25106003, KAKENHI-PLANNED-25106005, KAKENHI-PLANNED-25106006, KAKENHI-PROJECT-26289234
  • [Journal Article] Local Structure and Energetics of Pr- and La-Doped SrTiO3 Grain Boundaries and the Influence on Core-Shell Structure Formation2014

    • Author(s)
      James A. Dawson and Isao Tanaka
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY C

      Volume: 118 Pages: 25765-25778

    • DOI

      10.1021/jp508444k

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-13F03370, KAKENHI-PLANNED-25106005
  • [Journal Article] Oxygen Vacancy Formation and Reduction Properties of beta-MnO2 Grain Boundaries and the Potential for High Electrochemical Performance2014

    • Author(s)
      James A. Dawson and Isao Tanaka
    • Journal Title

      ACS APPLIED MATERIALS & INTERFACES

      Volume: 6 Pages: 17776-17784

    • DOI

      10.1021/am504351p

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-13F03370, KAKENHI-PLANNED-25106005
  • [Journal Article] Combined Ab Initio and Interatomic Potentials Based Assessment of the Defect Structure of Mn-Doped SrTiO32014

    • Author(s)
      James A. Dawson and Isao Tanaka
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY C

      Volume: 118 Pages: 14485-14494

    • DOI

      10.1021/jp5006428

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] Proton incorporation and trapping in ZrO2 grain boundaries2014

    • Author(s)
      James A. Dawson and Isao Tanaka
    • Journal Title

      JOURNAL OF MATERIALS CHEMISTRY A

      Volume: 2 Pages: 1400-1408

    • DOI

      10.1039/c3ta14029f

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-13F03370, KAKENHI-PLANNED-25106005
  • [Journal Article] Efficient determination of alloy ground-state structures2014

    • Author(s)
      A. Seko, K. Shitara, and I. Tanaka
    • Journal Title

      Physical Review B

      Volume: 90 Pages: 174104-1

    • DOI

      10.1103/physrevb.90.174104

    • NAID

      120005522465

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-12J02608, KAKENHI-PLANNED-25106005
  • [Journal Article] First-principles study of valence band offsets at ZnSnP2/CdS, ZnSnP2/ZnS, and related chalcopyrite/zincblende heterointerfaces2013

    • Author(s)
      Hinuma, Yoyo ; Oba, Fumiyasu ; Nose, Yoshitaro and Tanaka, Isao
    • Journal Title

      Journal of Applied Physics

      Volume: Vol.114

    • DOI

      10.1063/1.4816784

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23246111
  • [Journal Article] Valence band offsets at zinc-blende heterointerfaces with misfit dislocations: A first-principles study2013

    • Author(s)
      Y. Hinuma, F. Oba and I. Tanaka
    • Journal Title

      PHYSICAL REVIEW B

      Volume: 88(7) Pages: 75319-75319

    • DOI

      10.1103/physrevb.88.075319

    • NAID

      120006582274

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Journal Article] Accelerated Materials Design of Lithium Superionic Conductors Based on First-Principles Calculations and Machine Learning Algorithms2013

    • Author(s)
      Fujimura, Koji; Seko, Atsuto; Koyama, Yukinori; Kuwabara, Akihide; Kishida, Ippei; Shitara, Kazuki; Fisher, Craig A. J.; Moriwake, Hiroki and Tanaka, Isao
    • Journal Title

      Advanced Energy Materials

      Volume: Vol.3 Pages: 980-985

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24656370
  • [Journal Article] Evolution of crystal structures in metallic elements2013

    • Author(s)
      Togo, Atsushi ; Tanaka, Isao
    • Journal Title

      Physical Review B

      Volume: Vol.87

    • DOI

      10.1103/physrevb.87.184104

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23246111
  • [Journal Article] Band offsets of CuInSe2/CdS and CuInSe2/ZnS (110) interfaces: A hybrid density functional theory study2013

    • Author(s)
      Hinuma, Yoyo ; Oba, Fumiyasu; Kumagai, Yu and Tanaka Isao
    • Journal Title

      Physical Review B

      Volume: Vol.88 Pages: 35305-35305

    • DOI

      10.1103/physrevb.88.035305

    • NAID

      120006582269

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23246111
  • [Journal Article] Functional complex point-defect structure in a huge-size-mismatch system2013

    • Author(s)
      R. Ishikawa, N. Shibata, F. Oba, T. Taniguchi, SD. Findlay, I. Tanaka, Y. Ikuhara
    • Journal Title

      Phys. Rev. Lett.

      Volume: 110[6] Pages: 65504-1

    • DOI

      10.1103/physrevlett.110.065504

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-19053003, KAKENHI-PROJECT-23246116, KAKENHI-PROJECT-23686089, KAKENHI-PROJECT-23686093
  • [Journal Article] First-principles calculations of the phase diagrams and band gaps in CuInSe_2-CuGaSe_2 and CuInSe_2-CuAlSe_22012

    • Author(s)
      Y.Kumagai, Y.Soda, F.Oba, A.Seko, I.Tanaka
    • Journal Title

      Physical Review B

      Volume: 85 Pages: 1-4

    • DOI

      10.1103/physrevb.85.033203

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005, KAKENHI-PROJECT-23686089, KAKENHI-PROJECT-23686090
  • [Journal Article] Ground-state search in multicomponent magnetic systems2012

    • Author(s)
      Y. Kumagai, A. Seko, F. Oba, and I. Tanaka
    • Journal Title

      PHYS. REV.

      Volume: B85 Pages: 12401-12401

    • NAID

      120006528333

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Ground-state search in multicomponent magnetic systems2012

    • Author(s)
      Y.Kumagai, A.Seko, F.Oba, I.Tanaka
    • Journal Title

      Physical Review B

      Volume: 85 Pages: 1-4

    • DOI

      10.1103/physrevb.85.012401

    • NAID

      120006528333

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005, KAKENHI-PROJECT-23246111, KAKENHI-PROJECT-23686089, KAKENHI-PROJECT-23686090
  • [Journal Article] First-principles calculations of the phase diagrams and band gaps in CuInSe_2-CuGaSe_2 and CuInSe_2-CuAlSe_2 pseudobinary systems2012

    • Author(s)
      Y. Kumagai, Y. Soda, F. Oba, A. Seko, and I. Tanaka
    • Journal Title

      PHYS. REV.

      Volume: B85 Pages: 33203-33203

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Atomic-level Modeling and computation of intergranular glassy film in high-purity Si_3N_4 ceramics2012

    • Author(s)
      M.Yoshiya, I.Tanaka, H.Adachi
    • Journal Title

      J.EURO.CERAM.SOC.

      Volume: 32 Pages: 1301-1311

    • DOI

      10.1016/j.jeurceramsoc.2011.03.027

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Electronic structures of dynamically stable As_2O_3, Sb_2O_3, and Bi_2O_3 crystal polymorphs2011

    • Author(s)
      A. Matsumoto, Y. Koyama, A. Togo, M. Choi, and I. Tanaka
    • Journal Title

      PHYS. REV.

      Volume: B83

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Antiferromagnetic superexchange via 3d states of titanium in EuTiO_3 as seen from hybrid Hartree-Fock density functional calculations2011

    • Author(s)
      H. Akamatsu, Y. Kumagai, F. Oba, K. Fujita, H. Murakami, K. Tanaka, and I. Tanaka
    • Journal Title

      PHYS. REV.

      Volume: B83

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Alkali-metal adsorption and manipulation on hydroxylated TiO2(110) surface using atomic force microscopy2011

    • Author(s)
      A.Yurtsever, Y.Sugimoto, M.Abe, K.Matsunaga, I.Tanaka, S.Morita
    • Journal Title

      Physical Review B

      Volume: 84

    • DOI

      10.1103/physrevb.84.085413

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005, KAKENHI-PLANNED-19053006, KAKENHI-PROJECT-21246010, KAKENHI-PROJECT-22221006
  • [Journal Article] Antiferromagnetic superexchange via 3d states of titanium in EuTiO3 as seen from hybrid Hartree-Fock density functional calculations2011

    • Author(s)
      H.Akamatsu, Y.Kumagai, F.Oba, K.Fujita, H.Murakami, K.Tanaka, I.Tanaka
    • Journal Title

      Phys.Rev.B

      Volume: (in press 確定)

    • NAID

      120006528329

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] Antiferromagnetic superexchange via 3d states of titanium in EuTiO_3 as seen from hybrid Hartree-Fock density functional calculations2011

    • Author(s)
      H.Akamatsu, Y Kumagai, F.Oba, K Fujita, H.Murakami, K.Tanaka, I.Tanaka
    • Journal Title

      Phys.Rev.B

      Volume: (印刷中)

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Atomistic structure and energetics of interface between Mn-doped y-Ga_2O_3 and MgAl_2O_42011

    • Author(s)
      H. Hayashi, R. Huang, F. Oba, T. Hirayama, and I. Tanaka
    • Journal Title

      J. MATER. SCI.

      Volume: 46[12] Pages: 4169-4169

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations2011

    • Author(s)
      I. Tanaka. A. Togo, A. Seko, F. Oba, Y. Koyama, and A. Kuwabara
    • Journal Title

      J. MATER. CHEM.

      Volume: 20[46] Pages: 3685-3704

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Electronic and structural properties of the oxygen vacancy in BaTiO_32011

    • Author(s)
      M. Choi, F. Oba, and I. Tanaka
    • Journal Title

      APLL. PHYS. LETT.

      Volume: 98[17] Pages: 172901-172901

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Epitaxial growth of Mn-doped γ-Ga_2O_3 on spinel substrate2011

    • Author(s)
      H. Hayashi, R. Huang, F. Oba, T. Hirayama, and I. Tanaka
    • Journal Title

      J. MATER. RES.

      Volume: 26[4] Pages: 578-578

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Grouping of structures for cluster expansion of multicomponent systems with controlled accuracy2011

    • Author(s)
      世古敦人, 田中功
    • Journal Title

      Physical Review B

      Volume: 83

    • DOI

      10.1103/physrevb.83.224111

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23246111, KAKENHI-PROJECT-23686090
  • [Journal Article] Grouping of structures for cluster expansion of multicomponent systems with controlled accuracy2011

    • Author(s)
      A. Seko and I. Tanaka
    • Journal Title

      PHYS. REV.

      Volume: B83

    • NAID

      120003338840

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Alkali-metal adsorption and manipulation on hydroxylated TiO2(110) surface using atomic force microscopy2011

    • Author(s)
      A. Yurtsever, Y. Sugimoto, M. Abe, K. Matsunaga. I. Tanaka. S. Morita
    • Journal Title

      PHYS. REV. B

      Volume: 84

    • NAID

      120006528336

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Hybrid density functional study of oxygen vacancies in KTaO_3 and NaTaO_32011

    • Author(s)
      M.Choi, F.Oba, I.Tanaka
    • Journal Title

      PHYS.REV.B

      Volume: 83

    • DOI

      10.1103/physrevb.83.214107

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Ab initio charge transfer multiplet calculations on the L_<2, 3> XANES and ELNES of 3d transition metal oxides2011

    • Author(s)
      H. Ikeno, T. Mizoguchi, and I. Tanaka
    • Journal Title

      PHYS. REV.

      Volume: B83[15] Pages: 155107-155107

    • NAID

      120003324604

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Ab initio charge transier multiplet calculations on the L_<2,3> XANES aid ELNES of 3d transition metal oxides2011

    • Author(s)
      H.Ikeno, T.Mizoguchi, I.Tanaka
    • Journal Title

      Phys. Rev. B,

      Volume: 83

    • DOI

      10.1103/physrevb.83.155107

    • NAID

      120003324604

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053001, KAKENHI-PLANNED-19053005, KAKENHI-PROJECT-22686059
  • [Journal Article] Hybrid density functional study of oxygen vacancies in KTaO_3 and NaTaO_32011

    • Author(s)
      M. Choi, F. Oba, and I. Tanaka
    • Journal Title

      PHYS. REV.

      Volume: B83

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Antiferromagnetic superexchange via 3d states of titanium in EuTiO_3 as seen from hybrid Hartree-Fock density functional calculations2011

    • Author(s)
      H.Akamatsu, Y.Kumagai, F.Oba, K.Fujita, H.Murakami, K.Tanaka, I.Tanaka
    • Journal Title

      PHYS.REV.B

      Volume: 83

    • DOI

      10.1103/physrevb.83.214421

    • NAID

      120006528329

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-10J01280, KAKENHI-PLANNED-19053005, KAKENHI-PUBLICLY-22015011, KAKENHI-PROJECT-23246111
  • [Journal Article] Al L_<2,3> edge x-ray absorption spectra in III-V semiconductors : Many-body perturbation theory in comparison with experiment2011

    • Author(s)
      W.Olvsson, I.Tanaka, T.Mizoguchi, G.Radtke, P.Puchnig, C.Ambrosh-Draxl
    • Journal Title

      Physical Review B

      Volume: 83

    • DOI

      10.1103/physrevb.83.195206

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053001, KAKENHI-ORGANIZER-19053003, KAKENHI-PLANNED-19053005, KAKENHI-PROJECT-23246111
  • [Journal Article] Atomistic structure and energetics of interface between Mn-doped Y-Ga_2O_3 and MgAl_2O_42011

    • Author(s)
      H.Hayashi, R.Huang, F.Oba, T.Hirayama, I.Tanaka
    • Journal Title

      J.Mater.Sci.

      Volume: (印刷中)

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Epitaxial Growth and Characterization of Rocksalt ZnO Thin Films with Low-Level NiO Alloying2011

    • Author(s)
      S.Katayama, H.Hayashi, F.Oba, I.Tanaka
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 50 Issue: 7R Pages: 075503-075503

    • DOI

      10.1143/jjap.50.075503

    • NAID

      210000070856

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Epitaxial growth of Mn-doped Y-Ga_2O_3 on spinel substrate2011

    • Author(s)
      H.Hayashi, R.Huang, F.Oba, T.Hirayama, I.Tanaka
    • Journal Title

      J.Mater.Res.

      Volume: (印刷中)

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Electronic structures of dynamically stable As2O3, Sb2O3, and Bi2O3 crystal polymorphs2011

    • Author(s)
      A.Matsumoto, Y.Koyama, A.Togo, M.Choi, I.Tanaka
    • Journal Title

      Physical Review B

      Volume: 83

    • DOI

      10.1103/physrevb.83.214110

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005, KAKENHI-PROJECT-23246111
  • [Journal Article] Point defects in ZnO : An approach from first principles2011

    • Author(s)
      F.Oba, M.Choi, A.Togo, I.Tanaka
    • Journal Title

      SCI.TECH.ADV.MATER.

      Volume: 12

    • DOI

      10.1088/1468-6996/12/3/034302

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First-principles phonon calculations of thermal expansion in Ti_3SiC_2, Ti_3AlC_2, and Ti_3GeC_22010

    • Author(s)
      A. Togo, L. Chaput, I. Tanaka. and G Hug
    • Journal Title

      PHYS. REV.

      Volume: B81[17] Pages: 174301-174301

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Native defects in oxide semiconductors : A density functional approach2010

    • Author(s)
      F.Oba, M.Choi, A.Togo, A.Seko, I.Tanaka
    • Journal Title

      J.Phys.: Condens.Matter

      Volume: 22

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] First-principles phonon calculations of thermal expansion in Ti_3SiC_2, AlC_2, and Ti_3GeC_22010

    • Author(s)
      A.Togo, L.Chaput, I.Tanaka, G.Hug
    • Journal Title

      Phys.Rev.B

      Volume: 81

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Pourbaix diagrams of alkaline earth metal elements by combination of first principles calculations and thermochemical data2010

    • Author(s)
      T. Suzuki, M. Mori, K. Matsunaga and I. Tanaka
    • Journal Title

      J. PHYS.: CONDENS. MATTER

      Volume: 22[38] Pages: 384206-384206

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First-principles calculations of Zn-K XANES in Ca-deficient hydroxyapatite2010

    • Author(s)
      H. Murata, K. Shitara, I. Tanaka, A. Nakahira, T. Mizoguchi, and K. Matsunaga
    • Journal Title

      J. PHYS. : CONDENS. MATTER.

      Volume: 22[38] Pages: 384213-384213

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Effects of off-Stoichiometry of LiC6 on the lithium diffusion mechanism and diffusivity by first principles calculations2010

    • Author(s)
      K. Toyoura, Y. Koyama, A. Kuwabara and I. Tanaka
    • Journal Title

      J. PHYS. CHEM. C

      Volume: 114[5] Pages: 2375-2375

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations2010

    • Author(s)
      I.Tanaka, A.Togo, A.Seko, F.Oba, Y.Koyama, A.Kuwabara
    • Journal Title

      J.Mater.Chem.

      Volume: 20 Pages: 10335-10344

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Structures and energetics of Bi_2O_3 polymorphs in a defective fluorite family derived by systematic first-principles lattice dynamics calculations2010

    • Author(s)
      A. Matsumoto, Y. Koyama, and I. Tanaka
    • Journal Title

      PHYS. REV.

      Volume: B81[9] Pages: 94117-94117

    • NAID

      120002484945

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Doping of hexagonal boron nitride via intercalation : A theoretical prediction2010

    • Author(s)
      F.Oba, A.Togo, I.Tanaka, K.Watanabe, T.Taniguchi
    • Journal Title

      Phys.Rev.B 81

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Phase relationships and structures of inorganic crystals by combination of cluster expansion method and first principles calculations2010

    • Author(s)
      I. Tanaka. A. Seko, A. Togo, Y. Koyama, and F. Oba
    • Journal Title

      J. PHYS.: CONDENS. MATTER

      Volume: 22[38] Pages: 384207-384207

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations2010

    • Author(s)
      I.Tanaka, A.Togo, A.Seko, F.Oba, Y.Koyama, A.Kuwabara
    • Journal Title

      J.Mater.Chem.

      Volume: 20 Pages: 10335-10344

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] Native defects in oxide semiconductors : A density functional approach.2010

    • Author(s)
      F.Oba, M.Choi, A.Togo, A.Seko, I.Tanaka.
    • Journal Title

      J.Phys. : Condens.Matter Vol.22

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] Phase relationships and structures of inorganic crystals by combination of cluster expansion method and first princinles calculations2010

    • Author(s)
      I.Tanaka, A.Seko, A.Togo, Y.Koyama, F.Oba
    • Journal Title

      J. Phys. : Condens. Matter (In Press)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations.2010

    • Author(s)
      I.Tanaka, A.Togo, A.Seko, F.Oba, Y.Koyama, A.Kuwabara.
    • Journal Title

      J.Mater.Chem. Vol.20

      Pages: 10335-10344

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] Native defects in oxide semiconductors: A density functional approach2010

    • Author(s)
      F. Oba, M. Choi, A. Togo, A. Seko, and I. Tanaka
    • Journal Title

      J. PHYS. : CONDENS. MATTER

      Volume: 33[38] Pages: 384211-384211

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Doping of hexagonal boron nitride via intercalation : A theoretical prediction2010

    • Author(s)
      F. Oba, A. Togo, I. Tanaka, K. Watanabe, and T. Taniguchi
    • Journal Title

      PHYS. REV.

      Volume: B81[7] Pages: 75125-75125

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Effects of Off-Stoichiometry of LiC6 on the Lithium Diffusion Mechanism and Diffusivity by First Principles Calculations2010

    • Author(s)
      Kazuaki Toyoura, Yukinori Koyama, Akihide Kuwabara, Isao Tanaka
    • Journal Title

      Journal of Physical Chemistry C 114

      Pages: 2375-2379

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Phase relationships and structures of inorganic crystals by combination of cluster expansion method and first principles calculations2010

    • Author(s)
      I.Tanaka, A.Seko, A.Togo, Y.Koyama, F.Oba.
    • Journal Title

      Journal of Physics-Condensed Matter Vol.22

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] 27A1NMR chemical shifts in oxide crystals : A first-principles study2009

    • Author(s)
      M. Choi, K. Matsunaga, F. Oba, and I. Tanaka
    • Journal Title

      J. Phys. Chem. C 113

      Pages: 3869-3873

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] 27A1 NMR chemical shifts in oxide crystals : A first-principles study2009

    • Author(s)
      M. Choi, K. Matsunaga, F. Oba, I. Tanaka
    • Journal Title

      J. Phys. Chem. C 113

      Pages: 3869-3873

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] First-principles prediction of low-energy structures for AlH_32009

    • Author(s)
      S. Sun, X. Ke, C. Chen and I. Tanaka
    • Journal Title

      PHYS. REV. B

      Volume: 79[2] Pages: 24104-24104

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Role of Ti antisite-like defects in SrTiO_32009

    • Author(s)
      M.Choi, F.Oba, I.Tanaka
    • Journal Title

      Phys.Rev.Lett. 103

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] All-electron Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures2009

    • Author(s)
      W. Olovsson, I. Tanaka, T. Mizoguchi, P. Puschnig and C. Ambrosch-Draxl
    • Journal Title

      PHYS. REV. B

      Volume: 79[4]

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First-principles investigation of atomic structures and stability of proton-exchanged layered sodium titanate2009

    • Author(s)
      M. Mori, Y. Kumagai, K. Matsunaga and I. Tanaka
    • Journal Title

      PHYS. REV. B

      Volume: 79[14] Pages: 144117-144117

    • NAID

      120002086092

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Variable anisotropy of ionic conduction in lithium nitride: Effect of duplex-charge transfer2009

    • Author(s)
      I. Kishida, F. Oba, Y. Koyama, A. Kuwabara, and I. Tanaka
    • Journal Title

      PHYS. REV.

      Volume: B80[2] Pages: 24116-24116

    • NAID

      120002086091

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Geometric ferroelectricity in rare-earth compounds RGaO_3 and RInO_32009

    • Author(s)
      T. Tohei, H. Moriwake, H. Murata, A. Kuwabara, R. Hashimoto, T. Yamamoto and I. Tanaka
    • Journal Title

      PHYS. REV. B

      Volume: 79[14] Pages: 144125-144125

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] ^<27>Al NMR chemical shifts in oxide crystals : A first-principles study2009

    • Author(s)
      M. Choi, K. Matsunaga, F. Oba, and I. Tanaka
    • Journal Title

      J. PHYS. CHEM. C

      Volume: 113[9] Pages: 3869-3869

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Role of Ti antisite-like defects in SrTiO32009

    • Author(s)
      M. Choi, F. Oba, I. Tanaka
    • Journal Title

      Phys. Rev. Lett. 103

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] <27>^Al NMR chemical shifts in oxide crystals : A first-principles study.2009

    • Author(s)
      M.Choi, K.Matsunaga, F.Oba, I.Tanaka.
    • Journal Title

      J.Phys.Chem.C Vol.113

      Pages: 3869-63873

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] First-principles investigation of atomic structures and stability of proton-exchanged layered sodium titanate2009

    • Author(s)
      M. Mori, Y. Kumagai, K. Matsunaga, I. Tanaka
    • Journal Title

      Phys. Rev. B 79

    • NAID

      120002086092

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First-principles study of defect-induced potentials in Ca_2CuO_2Cl_22009

    • Author(s)
      Y. Kumagai, F. Oba, I. Yamada, M. Azuma, and I. Tanaka
    • Journal Title

      PHYS. REV.

      Volume: B80[8] Pages: 85120-85120

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Role of Ti antisite-like defects in SrTiO_32009

    • Author(s)
      M. Choi, F. Oba, and I. Tanaka
    • Journal Title

      PHYS. REV. LETT.

      Volume: 103[18] Pages: 185502-185502

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Transition pathway of CO_2 crystals under high pressures2008

    • Author(s)
      A. Togo, F. Oba and I. Tanaka
    • Journal Title

      PHYS. REV. B

      Volume: 77[18] Pages: 184101-184101

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First-principles-based phase diagram of the cubic BNC ternary system2008

    • Author(s)
      K. Yuge, A. Seko, Y. Koyama, F. Oba, and I. Tanaka
    • Journal Title

      Phys. Rev. B 77

      Pages: 94121-94121

    • NAID

      120001462572

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound2008

    • Author(s)
      K. Toyoura, Y. Koyama, A. Kuwabara, F. Oba and I. Tanaka
    • Journal Title

      PHYS. REV. B

      Volume: 78[21] Pages: 214303-214303

    • NAID

      120001462575

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures2008

    • Author(s)
      A. Togo, F. Oba, I. Tanaka
    • Journal Title

      Phys. Rev. B 78

    • NAID

      120001462576

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] Atomic structures of supersaturated ZnO-Al_2O_3 solid solutions2008

    • Author(s)
      S., Yoshioka, F., Oba, It Huang, I., Tanaka, T., Mizoguchi, T., Yamamoto
    • Journal Title

      J. Appl. Phys 103

      Pages: 14309-14309

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] First-principles-based phase diagram of the cubic BNC ternary system2008

    • Author(s)
      K., Yuge, A., Seko, Y., Koyama, F., Oba, I., Tanaka
    • Journal Title

      Phys. Rev. B 77

      Pages: 94121-94121

    • NAID

      120001462572

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Structares and energetics of Ga203 polymorphs2008

    • Author(s)
      S. Yoshioka, H. Hayashi, A. Kuwabara, F. Oba, K. Matsunaga and I. Tanaka
    • Journal Title

      Journal of Physics-Condensed Matter 19

      Pages: 346211-346211

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] First principles calculations for modern ceramic science and engineering2008

    • Author(s)
      Isao Tanaka and Fumiyasu Oba
    • Journal Title

      Journal of Physics Condensed Matter 20

      Pages: 64215-64215

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19656161
  • [Journal Article] First-principles investigation of R203(ZnO)(3)(R=Al,Ga,and In)in homologous series of compounds2008

    • Author(s)
      S. Yoshioka, K. Toyoura, F. Oba, A. Kuwabara, K. Matsunaga and I. Tanaka
    • Journal Title

      Journal of Solid State Chemistry 181

      Pages: 137-142

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] First principles calculations for modern ceramic science and engineering2008

    • Author(s)
      I., Tanaka, F., Oba
    • Journal Title

      J. Phys. : Condens. Matter 20

      Pages: 64215-64215

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Lattice dynamics and thermodynamical properties of silicon nitride polymorphs2008

    • Author(s)
      A. Kuwabara, K. Matsunaga, I. Tanaka
    • Journal Title

      Phys. Rev. B 78

    • NAID

      120001462578

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First-principles calculations of the ferroelastic transition between rutile-type and CaCl_2-type SiO_2 at high pressures2008

    • Author(s)
      A.Togo, F.Oba, I.Tanaka
    • Journal Title

      Phys.Rev.B Vol.78

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] First-principles study of native defects and lanthanum impurities in NaTaO32008

    • Author(s)
      M. Choi, F. Oba, and I. Tanaka
    • Journal Title

      Phys. Rev. B 78

    • NAID

      120001462579

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First-principles study of native defects and lanthanum impurities in NaTaO32008

    • Author(s)
      M. Choi, F. Oba, I. Tanaka
    • Journal Title

      Phys. Rev. B 78

    • NAID

      120001462579

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] Effects of crystal structure on Co- L2,3 x-ray absorption near-edge structure and electron-energy-loss near-edge structure of trivalent cobalt oxides2008

    • Author(s)
      Y. Kumagai, H. Ikeno, F. Oba, K. Matsunaga and I. Tanaka
    • Journal Title

      PHYS. REV. B

      Volume: 77[15] Pages: 155124-155124

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Effects of Breit interaction on the L_<2,3> x-ray absorption near-edge structures of 3d transition metals2008

    • Author(s)
      H., Ikeno, I., Tanaka
    • Journal Title

      Phys. Rev. B 77

      Pages: 155124-155124

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Lattice dynamics and thermodynamical properties of silicon nitride polymorphs2008

    • Author(s)
      A. Kuwabara, K. Matsunaga and I. Tanaka
    • Journal Title

      PHYS. REV. B

      Volume: 78[6] Pages: 64104-64104

    • NAID

      120001462578

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] 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 oxides2008

    • Author(s)
      Y., Kumagai, H., Ikeno, F., Oba, K., Matsunaga, I., Tanaka
    • Journal Title

      Phys. Rev. B 77

      Pages: 155124-155124

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] First-principles study of native defects and lanthanum impurities in NaTaO_3.2008

    • Author(s)
      M.Choi, F.Oba, I.Tanaka
    • Journal Title

      Phys.Rev.B Vol.78

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Journal Article] Effects of Breit interaction on the L_<2,3> x-ray absorption near-edge structures of 3d transition metals2008

    • Author(s)
      H. Ikeno and I. Tanaka
    • Journal Title

      PHYS. REV. B

      Volume: 77[7] Pages: 75127-75127

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First-principles investigation of R_2O_3(ZnO)_3(R=Al, Ga, and In)in homologous series of compounds2008

    • Author(s)
      S. Yoshioka, K. Toyoura, F. Oba, A. Kuwabara, K. Matsunaga, and I. Tanaka
    • Journal Title

      J. Solid State Chem. 181

      Pages: 137-142

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] 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 oxides2008

    • Author(s)
      Y. Kumagai, H. Ikeno, F. Oba, K. Matsunaga, and I. Tanaka
    • Journal Title

      Phys. Rev. B 77

      Pages: 155124-155124

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Effects of Breit interaction on the L_<2,3> x-ray absorption near-edge structures of 3d transition metals2008

    • Author(s)
      H. Ikeno and I. Tanaka
    • Journal Title

      Phys. Rev. B 77

      Pages: 75127-75127

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Structure and stability of a homologous series of tin oxides2008

    • Author(s)
      A. Seko, A. Togo, F. Oba and I. Tanaka
    • Journal Title

      PHYS. REV. LETT.

      Volume: 100[4] Pages: 45702-45702

    • NAID

      120001462586

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First principles calculations for modern ceramic science and engineering2008

    • Author(s)
      Isao Tanaka, et. al.
    • Journal Title

      Journal of Physics-Condensed Matter 20

      Pages: 64215-64215

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First-principles study of native defects and lanthanum impurities in NaTaO_32008

    • Author(s)
      M. Choi, F. Oba and I. Tanaka
    • Journal Title

      PHYS. REV. B

      Volume: 78[1] Pages: 14115-14115

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First-principles-based phase diagram of the cubic BNC ternary system2008

    • Author(s)
      K. Yuge, A. Seko, Y. Koyama, F. Oba and I. Tanaka
    • Journal Title

      PHYS. REV. B

      Volume: 77[9] Pages: 94121-94121

    • NAID

      120001462572

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First-principles calculations of the ferroelastic transition between rutile-type and CaCl_2-type SiO_2 at high pressures2008

    • Author(s)
      A. Togo, F. Oba and I. Tanaka
    • Journal Title

      PHYS. REV. B

      Volume: 78[13] Pages: 134106-134106

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] First principles calculations for modern ceramic science and engineering2008

    • Author(s)
      I. Tanaka and F. Oba
    • Journal Title

      J. Phys.: Condens. Matter 20

      Pages: 64215-64215

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] First-principles investigation of R_2O_3(ZnO)_3 (R=AL, Ga, and In) in homologous series of compounds2008

    • Author(s)
      S., Yoshioka, K., Toyoura, F., Oba, A., Kuwabara, K., Matsunaga, I., Tanaka
    • Journal Title

      J. Solid State Chem 181

      Pages: 137-142

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Atomic structures of supersaturated ZnO-Al_2O_3 solid solutions2008

    • Author(s)
      S. Yoshioka, F. Oba, R. Huang, I. Tanaka, T. Mizoguchi, and T. Yamamoto
    • Journal Title

      J. Appl. Phys. 103

      Pages: 14309-14309

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Defect energetics in ZnO: A hybrid Hartree-Fock density functional study2008

    • Author(s)
      F. Oba, A. Togo, I. Tanaka, J. Paier and G. Kresse
    • Journal Title

      PHYS. REV. B

      Volume: 77[24] Pages: 245202-245202

    • NAID

      120001462580

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Atomic structures of supersaturated ZnO-AL(2)O(3)solid solutions2008

    • Author(s)
      S. Yoshioka, F. Oba, R. Huang, I. Tanaka, T. Mizoguchi and T. Yamamoto
    • Journal Title

      Journal of Applied Physics 103

      Pages: 14309-14309

    • NAID

      120001462548

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Structures and energetics of Ga_2O_3 polymorphs2007

    • Author(s)
      S., Yoshioka, H., Hayashi, A., Kuwabara, F., Oba, K., Matsunaga, I., Tanaka
    • Journal Title

      Journal of Physics-Condensed Matter 19

      Pages: 346211-346211

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Structures and energetics of Ga_2O_3 polymorphs2007

    • Author(s)
      S. Yoshioka, H. Hayashi, A. Kuwabara, F. Oba, K. Matsunaga and I. Tanaka
    • Journal Title

      Journal of Physics-Condensed Matter 19

      Pages: 346211-346211

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] X-ray absorption near-edge structures of disordered Mg_<1-x>Zn_xO solid solutions2007

    • Author(s)
      T. Mizoguchi, A. Seko, M. Yoshiya, H. Yoshida, T. Yoshida, W. Y. Ching and I. Tanaka
    • Journal Title

      PHYS. REV. B

      Volume: 76[19] Pages: 195125-195125

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Awaking of ferromagnetism in GaMnN through control of Mn valence2006

    • Author(s)
      S., Sonoda, I., Tanaka, F., Oba, H., Ikeno, H., Hayashi, T., Yamamoto, Y., Yuba, Y., Akasaka, K., Yoshida, M., Aoki, M., Mari, T., Araki, Y., Nanishi, K., Kindo, H., Hon
    • Journal Title

      Appl. Phys. Lett. 90

      Pages: 12504-12504

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Debye temperature and stiffness of carbon and boron nitride polymorphs from first principles calculations2006

    • Author(s)
      T.Tohei, A.Kuwabara, F.Oba, I.Tanaka
    • Journal Title

      Phys. Rev. B 73

      Pages: 64304-64304

    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Room temperature ferromagnetism in Mn-doped Ga_2O_3 with spine] structure2006

    • Author(s)
      H., Hayashi, R., Huang, H., Ikeno, F., Oba, S., Yoshioka, I., Tanaka, S., Sonoda
    • Journal Title

      Appl. Phys. Lett 89

      Pages: 181903-181903

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Microstructure of Mn-doped □-Ga_2O_3 epitaxial film on sapphire(0001)with room temperature ferromagnetism2006

    • Author(s)
      R.Huang, H. Hayashi, F. Oba, and I. Tanaka
    • Journal Title

      J. Appl. Phys. 101

      Pages: 63526-63526

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Tuning the chemical functionality of a gas sensitive material : Water adsorption on SnO2(101)2006

    • Author(s)
      Batzill, M., Bergermayer, W., Tanaka, I., Diebold, U.
    • Journal Title

      Surface Science 600(4)

    • Data Source
      KAKENHI-PROJECT-16360328
  • [Journal Article] Debye temperature and stiffness of carbon and boron nitride polymorphs from first principles calculations2006

    • Author(s)
      Tohei, T., Kuwabara, A., Oba, F., Tanaka, I.
    • Journal Title

      Phys.Rev.B 73

      Pages: 1-7

    • Data Source
      KAKENHI-PROJECT-16360328
  • [Journal Article] Awaking of ferromagnetism in GaMnN through control of Mn valence2006

    • Author(s)
      S. Sonoda, I. Tanaka, F. Oba, H. Ikeno, H. Hayashi, T. Yamamoto, Y. Yuba, Y. Akasaka, K. Yoshida, M. Aoki, M. Asari, T. Araki, Y. Nanishi, K. Kindo, and H. Hori
    • Journal Title

      Annl. Phvs. Lett. 90

      Pages: 12504-12504

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] First-principles multi-electron calculations for L2, L3 ELNES/XANES of 3d transition metal monoxides2006

    • Author(s)
      H.Ikeno, T.Mizoguchi, Y.Koyama, Y.Kumagai, I.Tanaka
    • Journal Title

      Ultramicroscopy 106

      Pages: 970-975

    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] First-principles calculations of native defects in tin monoxide2006

    • Author(s)
      A. Togo, F. Oba, I. Tanaka, and K. Tatsumi
    • Journal Title

      Phys. Rev. B 74

      Pages: 174202-174202

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] First-principles calculations of native defects in tin monoxide2006

    • Author(s)
      A.Togo, F.Oba, I.Tanaka, K.Tatsumi
    • Journal Title

      Phys. Rev. B 74

      Pages: 174202-174202

    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] First-principles study of cation disordering in MgAl_2O_4 spinel with cluster expansion and Monte Carlo simulation2006

    • Author(s)
      A.Seko, K.Yuge, F.Oba, A.Kuwabara, I.Tanaka, T.Yamamoto
    • Journal Title

      Phys. Rev. B 73

      Pages: 94116-94116

    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Room temperature ferromagnetism in Mn-doped □-Ga_2O_3 with spinel structure2006

    • Author(s)
      H. Hayashi, R. Huang, H. Ikeno, F. Oba, S. Yoshioka, I. Tanaka, and S. Sonoda
    • Journal Title

      Appl. Phys. Lett 89

      Pages: 181903-181903

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Prediction of ground-state structures and order-disorder phase transitions in II-III spinel oxides : A combined cluster-expansion method and first-principles2006

    • Author(s)
      A.Seko, K.Yuge, F.Oba, A.Kuwabara, I.Tanaka
    • Journal Title

      Phys. Rev. B 73

      Pages: 184117-184117

    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] Microstructure of Mn-doped Ga_2O_3 epitaxial film on sapphire (0001) with room temperature ferromagnetism2006

    • Author(s)
      R., Huang, H., Hayashi, F., Oba, I., Tanaka
    • Journal Title

      J. Appl. Phys 101

      Pages: 63526-63526

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] First-principles calculations of native defects in tin monoxide2006

    • Author(s)
      A., Togo, F., Oba, I., Tanaka, K., Tatsumi
    • Journal Title

      Phys. Rev. B 74

      Pages: 174202-174202

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Journal Article] First-principles study of the effect of lattice vibrations on Cu nucleation free energy in Fe-Cu alloys2005

    • Author(s)
      Yuge, K., Seko, A., Tanaka, I., Nishitani, S.R.
    • Journal Title

      Physical Review B 72(17)

      Pages: 1-7

    • Data Source
      KAKENHI-PROJECT-16360328
  • [Journal Article] Pressure-induced phase transition in ZnO and ZnO-MgO pseudobinary system : A first-principles lattice dynamics study2005

    • Author(s)
      Seko, A., Oba, F., Kuwabara, A., Tanaka, I.
    • Journal Title

      Physical Review B, 72(2)

    • Data Source
      KAKENHI-PROJECT-16360328
  • [Journal Article] Cubic and orthorhombic structures of aluminum hydride Al H3 predicted by a first-principles study2005

    • Author(s)
      Ke, X., Kuwabara, A., Tanaka, I.
    • Journal Title

      Physical Review B. 71(18)

    • Data Source
      KAKENHI-PROJECT-16360328
  • [Journal Article] Ab initio lattice dynamics and phase transformations of ZrO_22005

    • Author(s)
      I.Tanaka et al.
    • Journal Title

      Phys.Rev.B 71

    • Data Source
      KAKENHI-PROJECT-12130101
  • [Journal Article] XANES and ELNES in ceramic science2005

    • Author(s)
      I.Tanaka
    • Journal Title

      J. Am. Ceram. Soc. 88(8)

      Pages: 2013-2029

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16360328
  • [Journal Article] XANES and EINES in ceramic science2005

    • Author(s)
      I.Tanaka et al.
    • Journal Title

      J.Am.Ceram.Soc. 88

      Pages: 2013-2029

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-16360328
  • [Journal Article] General rule for displacive phase transitions in perovskite compounds revisited by first principles calculations2005

    • Author(s)
      I.Tanaka et al.
    • Journal Title

      Phys.Rev.Lett. 94

    • Data Source
      KAKENHI-PROJECT-12130101
  • [Journal Article] XANES and ELNES in ceramic science2005

    • Author(s)
      Tanaka, I., Mizoguchi, T., Yamamoto, T.
    • Journal Title

      Journal of the American Ceramic Society 88(8)

      Pages: 2013-2029

    • Data Source
      KAKENHI-PROJECT-16360328
  • [Journal Article] X-ray absorption near edge structures of silicon nitride thin film by pulsed laser deposition2004

    • Author(s)
      I.Tanaka et al.
    • Journal Title

      Mater.Trans. 45

      Pages: 2039-2041

    • NAID

      10013336406

    • Data Source
      KAKENHI-PROJECT-12130101
  • [Journal Article] The formation of a rock-salt type ZnO thin film by low-level alloying with MgO2004

    • Author(s)
      I.Tanaka et al.
    • Journal Title

      J.Phys.-Condes.Matter. 16

      Pages: 3801-3806

    • Data Source
      KAKENHI-PROJECT-12130101
  • [Journal Article] Phonon-phonon interactions in transition metals

    • Author(s)
      L. Chaput, A. Togo, I. Tanaka, and G. Hug
    • NAID

      120006528334

    • Data Source
      KAKENHI-PLANNED-19053005
  • [Journal Article] Antiferromagnetic superexchange via 3d states of titanium in EuTiO_3 as seen from hybrid Hartree-Fock density functional calculations.

    • Author(s)
      H.Akamatsu, Y.Kumagai, F.Oba, K.Fujita, H.Murakami, K.Tanaka, I.Tanaka
    • Journal Title

      Phys.Rev.B Vol.20(in press)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Presentation] スラリーを用いた並列固相反応合成における溶媒の検討2021

    • Author(s)
      須賀隆裕、林博之、田中功
    • Organizer
      日本金属学会 2020年春期第168回講演大会
    • Data Source
      KAKENHI-PROJECT-18H03843
  • [Presentation] 機械学習ポテンシャルを用いた結晶粒界構造の探索2021

    • Author(s)
      西山隆之、世古敦人、田中功
    • Organizer
      日本金属学会 2020年秋期第167回講演大会
    • Data Source
      KAKENHI-PROJECT-18H03843
  • [Presentation] 第一原理フォノン計算を用いた Mg {10-12} 双晶界面の解析2020

    • Author(s)
      溝上慧祐、田中功
    • Organizer
      日本金属学会 2020年春期第168回講演大会
    • Data Source
      KAKENHI-PROJECT-18H03843
  • [Presentation] Data driven discovery of new materials 22019

    • Author(s)
      Isao Tanaka
    • Organizer
      1st Workshop on Materials Informatics in Xi'an (MIX)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H03843
  • [Presentation] 第一原理計算に基づいた材料開発に関する研究2018

    • Author(s)
      田中 功
    • Organizer
      日本金属学会2018春期講演大会
    • Invited
    • Data Source
      KAKENHI-PROJECT-15H02286
  • [Presentation] Data Driven Discovery of Novel Mateials2018

    • Author(s)
      Isao Tanaka
    • Organizer
      Ceramic Materials and Components for Energy and Environmental Applications(CMCEE) Conference
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H03843
  • [Presentation] 第一原理計算とインフォマティクス手法を用いた材料2017

    • Author(s)
      田中 功
    • Organizer
      日本金属学会2017年秋期講演大会
    • Invited
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Presentation] Materials Discovery Through Machine Learning Process2017

    • Author(s)
      Tanaka, I
    • Organizer
      9th International Symposium on Nitrides(ISNT2017)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Presentation] Thermal conductivity of spinel nitrides and related materials by first principles calculations2016

    • Author(s)
      I. Tanaka
    • Organizer
      8th International Workshop on Spinel Nitrides and Related Materials,
    • Place of Presentation
      Rudesheim, Germany
    • Year and Date
      2016-09-05
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Presentation] High-throughput calculations of binary oxide surface properties2016

    • Author(s)
      Yoyo Hinuma, Yu Kumagai, Hiroyuki Hayashi, Fumiyasu Oba, Isao Tanaka
    • Organizer
      E-MRS Fall 2016
    • Place of Presentation
      Warsaw, Poland
    • Year and Date
      2016-09-19
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Presentation] Calculating binary oxide surface properties with a high-throughput procedure2016

    • Author(s)
      Yoyo Hinuma, Yu Kumagai, Hiroyuki Hayashi, Fumiyasu Oba, Isao Tanaka
    • Organizer
      MRS Fall Meeting 2016
    • Place of Presentation
      Boston, USA
    • Year and Date
      2016-11-27
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Presentation] Materials discovery through first principles calculations2016

    • Author(s)
      I. Tanaka
    • Organizer
      The 19th Asia Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Hsinchu, Taiwan
    • Year and Date
      2016-10-31
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Presentation] Real and virtual screening for materials discovery through first principles calculations2016

    • Author(s)
      I. Tanaka
    • Organizer
      Workshop I: Machine Learning Meets Many-Particle Problems
    • Place of Presentation
      Los Angeles, USA
    • Year and Date
      2016-09-26
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Presentation] Materials Genome and materials design2015

    • Author(s)
      Tanaka, I.
    • Organizer
      第1回マテリアルズ・ゲノム(情報統合型物質・材料研究)に関する日米ワークショップ
    • Place of Presentation
      つくば市
    • Year and Date
      2015-06-23
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Presentation] Accelerated Discovery of Ceramic Materials via Systematic Density-Functional Calculations2015

    • Author(s)
      Tanaka, I.
    • Organizer
      11th International Conference on Ceramic Materials and Components for Energy and Environmental Applications
    • Place of Presentation
      バンクーバー,カナダ
    • Year and Date
      2015-06-16
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Presentation] Efficient materials exploration based on systematic density-functional calculations and machine learning techniques2014

    • Author(s)
      Isao Tanaka
    • Organizer
      E-MRS 2014 Spring Meeting
    • Place of Presentation
      Lille, France
    • Year and Date
      2014-05-27
    • Invited
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Presentation] Data mining of lithium super-ionic conducting oxides from first principles conducting oxides2013

    • Author(s)
      Isao Tanaka
    • Organizer
      10th Pacific Rim Conference on Ceramic and Glass Technology
    • Place of Presentation
      San Diego, USA
    • Year and Date
      2013-06-07
    • Invited
    • Data Source
      KAKENHI-PROJECT-23246111
  • [Presentation] Superionic Transition of Bismuth oxide by Systematic Density Functional Theory Calculations2011

    • Author(s)
      Tanaka, Isao
    • Organizer
      62nd Annual Meeting of the International Society of Electrochemistry
    • Place of Presentation
      新潟市
    • Year and Date
      2011-09-15
    • Data Source
      KAKENHI-PROJECT-23246111
  • [Presentation] Superionic Transition of Bismuth Oxide by Systematic Density Functional Theory Calculations2011

    • Author(s)
      田中功
    • Organizer
      62nd Annual Meeting of the International Society of Electrochemistry
    • Place of Presentation
      新潟市
    • Year and Date
      2011-09-15
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] ポスト遷移金属酸化物の結晶構造と相転移経路の系統的探索2011

    • Author(s)
      田中功
    • Organizer
      日本金属学会 秋期大会
    • Place of Presentation
      宜野湾市
    • Year and Date
      2011-11-08
    • Data Source
      KAKENHI-PROJECT-23246111
  • [Presentation] ポスト遷移金属酸化物の結晶構造と相転移経路の系統的探索2011

    • Author(s)
      田中功
    • Organizer
      日本金属学会秋季大会
    • Place of Presentation
      宜野湾市
    • Year and Date
      2011-11-08
    • Data Source
      KAKENHI-PROJECT-23246111
  • [Presentation] Superionic Transition of Bismuth Oxide by Systematic Density Functional Theory Calculations2011

    • Author(s)
      田中功
    • Organizer
      4th CMRS Symposium on Multiscal Materials Modeling (MMM' 2011)
    • Place of Presentation
      Shanghai, China
    • Year and Date
      2011-07-05
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] TEM Workshop "Electron Microscopy ; Exploring Materials on the Atomic Scale"2011

    • Author(s)
      田中功
    • Organizer
      Current Progress in First Principles Calculations of ELNES
    • Place of Presentation
      Darmstadt, Germany
    • Year and Date
      2011-10-10
    • Data Source
      KAKENHI-PROJECT-23246111
  • [Presentation] Superionic Transition of Bismuth Oxide by Systematic Density Functional Theory Calculations2011

    • Author(s)
      I. Tanaka
    • Organizer
      4^<th> CMRS Symposium on Multiscale Materials Modeling (MMM2011)
    • Place of Presentation
      Shanghai, China
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] TEM Workshop "Electron Microscopy ; Exploring Materials on the Atomic Scale", Current Progress in First Principles Calculations of ELNES2011

    • Author(s)
      Tanaka, Isao
    • Organizer
      TEM Workshop "Electron Microscopy ; Exploring Materials on the Atomic Scale", Current Progress in First Principles Calculations of ELNES
    • Place of Presentation
      Darmstadt, Germany
    • Year and Date
      2011-10-10
    • Data Source
      KAKENHI-PROJECT-23246111
  • [Presentation] Superionic Transition of Bismuth Oxide by Systemalic Density Functional Theory Calculations2011

    • Author(s)
      田中功
    • Organizer
      4th CMRS Symposium on Multiscal Materials Modeling (MMM' 2011)
    • Place of Presentation
      Shanghai, China
    • Year and Date
      2011-07-05
    • Data Source
      KAKENHI-PROJECT-23246111
  • [Presentation] ポスト遷移金属酸化物の結晶構造と相転移経路の系統的探索2011

    • Author(s)
      田中功
    • Organizer
      日本金属学会秋期大会
    • Place of Presentation
      宜野湾市
    • Year and Date
      2011-11-08
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Current Progress in First Principles Calculations of ELNES2011

    • Author(s)
      I. Tanaka
    • Organizer
      TEM Workshop "Electron Microscopy; Exploring Materials on the Atomic Scale"
    • Place of Presentation
      Darmstadt, Germany
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] EM Workshop "Electron Microscopy ; Exploring Materials on the Atomic Scale'2011

    • Author(s)
      田中功
    • Organizer
      Current Progress in First Principles Calculations of ELNES
    • Place of Presentation
      Darmstadt, Germany
    • Year and Date
      2011-10-10
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Statistical thermodynamics of oxides by combination of cluster expansion method and first principles calculations2010

    • Author(s)
      I. Tanaka, A. Seko, A. Togo and F. Oba
    • Organizer
      The 2^<nd> Int'l Symposium on Advanced Microscopy and Theoretical Calculations
    • Place of Presentation
      Nagoya
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Phase relationships and structures of oxide crystals based on first principles calculations2010

    • Author(s)
      I. Tanaka, A. Seko, A. Togo and F. Oba
    • Organizer
      3^<rd> Int'l Congress on Ceramics
    • Place of Presentation
      Osaka
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Phase relationships and structures of oxide crystals based on first principles calculations2010

    • Author(s)
      I.Tanaka, A.Seko, A.Togo, F.Oba
    • Organizer
      3rd Int'l Congress on Ceramics
    • Place of Presentation
      大阪(招待講演)
    • Year and Date
      2010-11-17
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Thermodynamics and structures of oxide crystals by a systematic large set of first principles calculations2010

    • Author(s)
      I. Tanaka, A. Seko, A. Togo and F. Oba
    • Organizer
      The 13^<th> Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Pohang, Korea
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Statistical Thermodynamics of Oxides by Combination of Cluster Expansion Method and First Principles Calculations2010

    • Author(s)
      Isao Tanaka, et. al.
    • Organizer
      The 2nd Int'l Symposium on Advanced Microscopy and Theoretical Calculations
    • Place of Presentation
      Nagoya, Japan
    • Year and Date
      2010-06-26
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Presentation] Thermodynamics and structures of oxide crystals by a systematic large set of first principles calculations2010

    • Author(s)
      I.Tanaka, A.Seko, A.Togo, F.Oba
    • Organizer
      The 13th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      甫項、大韓民国(招待講演)
    • Year and Date
      2010-11-01
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] PLD法によるNi添加γ-Ga_2O_3の成膜と局所構造解析2010

    • Author(s)
      今林宏樹, 林博之, 大場史康, 田中功
    • Organizer
      日本金属学会 2010年春期(第146回)大会
    • Place of Presentation
      つくば市
    • Year and Date
      2010-03-28
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] X-ray absorption near edge structures (XANES) and electron energy loss near edge structures (ELNES) by first-principles calculations2010

    • Author(s)
      Isao Tanaka
    • Organizer
      The 1st Edition of the Int'l Conference on Advanced Materials Modelling
    • Place of Presentation
      ナント,フランス
    • Year and Date
      2010-07-09
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Presentation] Statistical thermodynamics of oxides by combination of cluster expansion method and first principles calculations2010

    • Author(s)
      I.Tanaka, A.Seko, A.Togo, F.Oba
    • Organizer
      The 2nd Int'l Symposium on Advanced Microscopy and Theoretical Calculations
    • Place of Presentation
      名古屋(招待講演)
    • Year and Date
      2010-06-26
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] 第一原理計算に基づいたリチウム電池材料研究2010

    • Author(s)
      田中功, 小山幸典, 豊浦和明, 大場史康, 岸田逸平
    • Organizer
      日本金属学会 2010年春期(第146回)大会
    • Place of Presentation
      つくば市
    • Year and Date
      2010-03-29
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Statistical Thermodynamics of Oxides by Combination of Cluster Expansion Method and First Principles Calculations2010

    • Author(s)
      I.Tanaka, A.Seko, A.Togo, F.Oba
    • Organizer
      The 2nd Int'l Symposium on Advanced Microscopy and Theoretical Calculations
    • Place of Presentation
      名古屋,日本
    • Year and Date
      2010-06-26
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Presentation] Cation Disordering in Spinel Compounds by a Large Set of First Principles Calculations2010

    • Author(s)
      Isao Tanaka
    • Organizer
      5th Int'l Workshop Spinel Nitrides and Related Materials
    • Place of Presentation
      Nantes, France
    • Year and Date
      2010-07-09
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Presentation] Cation disordering in spinel compounds by a large set of first principles calculations2010

    • Author(s)
      I.Tanaka
    • Organizer
      5th Int'l Workshop Spinel Nitrides and Related Materials
    • Place of Presentation
      リューデスハイム、ドイツ(招待講演)
    • Year and Date
      2010-09-01
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Cation Disordering in Spinel Compounds by a Large Set of First Principles Calculations2010

    • Author(s)
      Isao Tanaka
    • Organizer
      5th Int'l Workshop Spinel Nitrides and Related Materials
    • Place of Presentation
      リューデスハイム,ドイツ
    • Year and Date
      2010-09-01
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Presentation] Cation Disordering in Spinel Compounds by a Large Set of First Principles Calculations2010

    • Author(s)
      Isao Tanaka
    • Organizer
      5th Int'l Workshop Spinel Nitrides and Related Materials
    • Place of Presentation
      Russelsheim, Germany
    • Year and Date
      2010-09-01
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Presentation] Cluster expansion method based on optimal selection of structures for density-functional theory calculations2010

    • Author(s)
      A.Seko, Y.Koyama, I.Tanaka
    • Organizer
      MRS-IMRC Mexico 2010
    • Place of Presentation
      カンクン,メキシコ
    • Year and Date
      2010-08-18
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Presentation] 第一原理計算に基づいたリチウム電池材料研究2010

    • Author(s)
      田中功, 小山幸典, 豊浦和明, 大場史康, 岸田逸平
    • Organizer
      日本金属学会2010年春期大会
    • Place of Presentation
      つくば市
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Cation disordering in spinel compounds by a large set of first principles calculations2010

    • Author(s)
      I. Tanaka
    • Organizer
      5^<th> Int'l Workshop Spinel Nitrides and Related Materials
    • Place of Presentation
      Rudesheim, Germany
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Phase Relationships of Ceramics by Combination of Cluster Expansion Method2009

    • Author(s)
      Isao Tanaka, et. al.
    • Organizer
      Materials Science & Technology (MS&T'09)
    • Place of Presentation
      Pittsburgh, USA
    • Year and Date
      2009-10-28
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Presentation] Phase Relationships of Ceramics by Combination of Cluster Expansion Method and First Principles Calculations2009

    • Author(s)
      Isao Tanaka, A.Seko, F.Oba, Y.Koyama, K.Matsunaga
    • Organizer
      Materials Science & Technology (MS&T'09)
    • Place of Presentation
      Pittsburgh, USA
    • Year and Date
      2009-10-28
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Presentation] Phase relationships and structures of inorganic crystals by combination of cluster expansion method and first principles2009

    • Author(s)
      I. Tanaka
    • Organizer
      The 3^<rd> Theory Meets Industry Int'l Workshop
    • Place of Presentation
      Nagoya
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Theoretical Calculation of ELNES and XANES2009

    • Author(s)
      Isao Tanaka
    • Organizer
      TEX2008
    • Place of Presentation
      Nagoya, Japan
    • Year and Date
      2009-07-02
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Presentation] Phase relationships and structures of inorganic crystals by combination of cluster expansion method and first principles calculations2009

    • Author(s)
      I. Tanaka
    • Organizer
      The 3rd Theory Meets Industry International Workshop
    • Place of Presentation
      Nagoya
    • Year and Date
      2009-11-11
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Phase relationships and structures of inorganic crystals by combination of cluster expansion method and first principles calculations2009

    • Author(s)
      Isao Tanaka
    • Organizer
      The 3rd Theory Meets Industry International Workshop
    • Place of Presentation
      名古屋市
    • Year and Date
      2009-11-11
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] LCAO, Z+1 approximation, overlap population2008

    • Author(s)
      I. Tanaka
    • Organizer
      Workshop on X-ray Spectroscopies: theory and experiment, Jan.
    • Place of Presentation
      Lausanne, Switzerland
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] 第一原理熱力学に基づいた機能元素の材料設計2008

    • Author(s)
      田中功
    • Organizer
      日本金属学会 2008年春期大会
    • Place of Presentation
      東京都
    • Year and Date
      2008-03-01
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] First principles calculations of advanced nitrides and alloys2008

    • Author(s)
      I., Tanaka
    • Organizer
      Workshop on X-ray Spectroscopies
    • Place of Presentation
      Lausanne, Switzerland
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Presentation] LCAO, Z+1 approximation, Overlap population2008

    • Author(s)
      Isao Tanaka
    • Organizer
      Workshop on X-ray Spectroscopies: theory and experiment
    • Place of Presentation
      Lausanne, Switzerland
    • Year and Date
      2008-01-01
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Theoretical Calculation of ELNES and XANES2008

    • Author(s)
      Isao Tanaka
    • Organizer
      TEX2008
    • Place of Presentation
      愛知県名古屋市
    • Year and Date
      2008-07-02
    • Data Source
      KAKENHI-PROJECT-20246095
  • [Presentation] LCAO, Z+1 approximation, Overlap population2008

    • Author(s)
      I. Tanaka
    • Organizer
      Workshop on X-ray Spectroscopies
    • Place of Presentation
      Lausanne, Switzerland
    • Year and Date
      2008-01-31
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Presentation] Exploring structures and phase relationships of ceramics at finite temperatures from first principles2008

    • Author(s)
      Isao Tanaka
    • Organizer
      The 1st International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC1)
    • Place of Presentation
      愛知県名古屋市
    • Year and Date
      2008-06-29
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] ハイブリッド密度版関数法によるZnO中の点欠陥の電子状態2008

    • Author(s)
      大場史康, 東後篤史, 田中功, Joachim Paier and Georg Kresse
    • Organizer
      日本金属学会 2008年春期大会
    • Place of Presentation
      東京郡
    • Year and Date
      2008-03-01
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Presentation] 第一原理熱力学に基づいた機能元素の材料設計2008

    • Author(s)
      田中 功
    • Organizer
      日本金属学会
    • Place of Presentation
      東京都
    • Year and Date
      2008-03-01
    • Data Source
      KAKENHI-PROJECT-19656161
  • [Presentation] 第一原理熱力学に基づいた機能元素の材料設計2008

    • Author(s)
      田中功
    • Organizer
      日本金属学会2008年春期大会
    • Place of Presentation
      東京都
    • Data Source
      KAKENHI-PLANNED-19053005
  • [Presentation] Room-Temperature Ferromagnetism in Manganese-Doped Gallium Oxide2007

    • Author(s)
      F. Oba, H. Hayashi, R. Huang, H. Ikeno, S. Sonoda and I. Tanaka
    • Organizer
      Materials Science & Technology 2007
    • Place of Presentation
      Detroit, USA
    • Year and Date
      2007-09-01
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Presentation] First principles calculations of advanced nitrides and alloys2007

    • Author(s)
      I. Tanaka
    • Organizer
      2nd International Symposium on SiAlONS and Non-Oxides
    • Place of Presentation
      伊勢志摩,三重
    • Year and Date
      2007-12-01
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Presentation] Room-temperature ferromagnetism in manganese-doped gallium oxide2007

    • Author(s)
      F. Oba, H. Hayashi, R. Huang, H. Ikeno, S. Sonoda, and I. Tanaka
    • Organizer
      Materials Science & Technology 2007
    • Place of Presentation
      Detroit, USA
    • Year and Date
      2007-09-01
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Presentation] First principles calculations of-advanced nitrides and alloys2007

    • Author(s)
      I., Tanaka
    • Organizer
      2nd International Symposium on SiAIONS and Non-Oxides
    • Place of Presentation
      Mie, Japan
    • Year and Date
      2007-12-01
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Presentation] Free energy calculations of precipitate nucleation2006

    • Author(s)
      S. Nishitani, A. Seko, K. Yuge and I. Tanaka
    • Organizer
      THERMEC' 2006
    • Place of Presentation
      Vancouver, Canada
    • Year and Date
      2006-07-05
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Presentation] Vacancy effect on the precipitate nucleation in Fe-Cu alloy2006

    • Author(s)
      S. Nishitani, A. Seko, K. Yuge and I. Tanaka
    • Organizer
      The 3rd International Conference of Multiscale Materials Modeling
    • Place of Presentation
      Freiburg, Germany
    • Year and Date
      2006-09-21
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Presentation] Multiscale Vacancy effect on the precipitate nucleation in Fe-Cu alloy2006

    • Author(s)
      S., Nishitani, A., Seko, K., Yuge, I., Tanaka
    • Organizer
      The 3rd International Conference of Materials Modeling
    • Place of Presentation
      Freiburg, Germany
    • Year and Date
      2006-09-21
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18206067
  • [Presentation] Data mining of lithium super-ionic

    • Author(s)
      Isao Tanaka
    • Organizer
      10th Pacific Rim Conference on Ceramic and Glass Technology
    • Place of Presentation
      San Diego, USA
    • Invited
    • Data Source
      KAKENHI-PROJECT-23246111
  • [Presentation] Efficient Materials Exploration based on Systematic Density-Functional Calculations and Machine Learning Techniques

    • Author(s)
      Isao Tanaka
    • Organizer
      AMTC4
    • Place of Presentation
      浜松市
    • Year and Date
      2014-05-08 – 2014-05-10
    • Invited
    • Data Source
      KAKENHI-PLANNED-25106005
  • [Presentation] Exploring structures and phase relationships of ceramics at finite temperatures from first principles

    • Author(s)
      I. Tanaka
    • Organizer
      The 1st International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC1)
    • Place of Presentation
      Nagoya
    • Data Source
      KAKENHI-PLANNED-19053005
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