Tanaka Isao 田中功

… Alternative Names

Researcher Number	70183861
Other IDs
External Links
Affiliation (Current)	2021: 京都大学, 工学研究科, 教授
Affiliation (based on the past Project Information) *help	2016 – 2021: 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
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
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 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 / 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 / 材料設計 / 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

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 InvestigatorOngoing
- 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 InvestigatorOngoing
- 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
第一原理計算とインフォマティクスを活用した新しい高イオン伝導性結晶の探索Principal InvestigatorOngoing
- Principal Investigator
  
  田中功
- 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
新規窒化物半導体のインシリコデザインと材料創成・デバイス化への展開
- Principal Investigator
  
  大場史康
- 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

[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] 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
- 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
- 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: 7 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] 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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# of Collaborated Products: 5 results
79. ABE Masayuki

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
80. WATANBE Kenji

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
81. MORIWAKE Hiroki

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
82. 池田裕治

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
83. 熊谷悠

# of Collaborated Projects: 0 results

# of Collaborated Products: 5 results
84. BURTON Lee

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
85. 池野豪一

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
86. 杉本宜昭

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
87. 石川亮

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
88. 藤田晃司

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
89. 鹿島久嗣

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Tanaka Isao 田中 功

TANAKA Isao 田中 功

Research Projects

Research Products

Co-Researchers

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 InvestigatorOngoing

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データ科学に基づく新奇な無機化合物探索の実践Principal InvestigatorOngoing

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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

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第一原理計算とインフォマティクスを活用した新しい高イオン伝導性結晶の探索Principal InvestigatorOngoing

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新規窒化物半導体のインシリコデザインと材料創成・デバイス化への展開

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Exploration of nanostructure-property relationships for materials innovationPrincipal Investigator

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Materials informatics from first-principlesPrincipal Investigator

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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

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Development of local atomic environment analysis method through core exciton spectraPrincipal Investigator

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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

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Exploration of nanostructure-property relationships for materials innovationArea Organizer

Area Organizer

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Exploration of nanostructure - property relationships for materials innovationPrincipal Investigator

Principal Investigator

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Exploration of nanostructure-property relationshipsPrincipal Investigator

Principal Investigator

Project Period (FY)

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Tanaka Isao 田中功

TANAKA Isao 田中功