東京工業大学   応用セラミックス研究所／大学院総合理工学研究科材料物理科学専攻／元素戦略研究センター   教授

2015年4月 - 2016年3月

東京工業大学   元素戦略研究センター   客員准教授（兼任）

2013年2月 - 2015年3月

京都大学   大学院工学研究科材料工学専攻   准教授

2009年8月 - 2015年3月

京都大学   大学院工学研究科材料工学専攻   助手・助教

2004年2月 - 2009年7月

東京大学

2001年4月 - 2004年1月

東京大学   工学部   教務補佐員

2000年10月 - 2001年3月

Carrier generation and compensation mechanism in La₂SnO₂S₃

Teruya Nagafuji, Koshiro Osuna, Kota Hanzawa, Tomoya Gake, Soungmin Bae, Zhongxu Hu, Takayoshi Katase, Akira Takahashi, Hidenori Hiramatsu, Fumiyasu Oba

Journal of Materials Chemistry C   12 ( 31 )   12015 - 12025   2024年7月

Band Alignment of Oxides by Learnable Structural-Descriptor-Aided Neural Network and Transfer Learning

Shin Kiyohara, Yoyo Hinuma, Fumiyasu Oba

Journal of the American Chemical Society   146 ( 14 )   9697 - 9708   2024年3月

Fully autonomous materials screening methodology combining first-principles calculations, machine learning and high-performance computing system

Akira Takahashi, Kei Terayama, Yu Kumagai, Ryo Tamura, Fumiyasu Oba

Science and Technology of Advanced Materials: Methods   3 ( 1 )   2023年10月

Slab surface passivation and its application to band offset calculations for polar heterointerfaces of zinc-blende semiconductors

Tianwei Wang, Fumiyasu Oba

Physical Review Materials   2023年8月

Computational design and exploration of nitride and oxide semiconductors

Fumiyasu Oba

Journal of the Ceramic Society of Japan   131 ( 8 )   392 - 397   2023年8月

Oxygen vacancies in α-(Al x Ga1−x )2O3 alloys: a first-principles study

Takanori Ishii, Akira Takahashi, Teruya Nagafuji, Fumiyasu Oba

Applied Physics Express   2023年6月

Emergence of Dynamically‐Disordered Phases During Fast Oxygen Deintercalation Reaction of Layered Perovskite

Takafumi Yamamoto, Shogo Kawaguchi, Taiki Kosuge, Akira Sugai, Naoki Tsunoda, Yu Kumagai, Kosuke Beppu, Takuya Ohmi, Teppei Nagase, Kotaro Higashi, Kazuo Kato, Kiyofumi Nitta, Tomoya Uruga, Seiji Yamazoe, Fumiyasu Oba, Tsunehiro Tanaka, Masaki Azuma, Saburo Hosokawa

Advanced Science   2023年4月

Chemical Trends of Surface Reconstruction and Band Positions of Nonmetallic Perovskite Oxides from First Principles

Yasuhide Mochizuki, Ha-Jun Sung, Tomoya Gake, Fumiyasu Oba

Chemistry of Materials   35 ( 5 )   2047 - 2057   2023年2月

Single‐atom microscopy in wide‐bandgap nitrides

Ryo Ishikawa, Naoya Shibata, Fumiyasu Oba, Takashi Taniguchi, Yuichi Ikuhara

International Journal of Applied Ceramic Technology   2023年1月

Adaptive sampling methods via machine learning for materials screening

Akira Takahashi, Yu Kumagai, Hirotaka Aoki, Ryo Tamura, Fumiyasu Oba

Science and Technology of Advanced Materials: Methods   2 ( 1 )   55 - 66   2022年12月

Unique Atomic and Electronic Structures of Oxygen Vacancies in Amorphous SnO₂from First Principles and Informatics

Shin Kiyohara, David Mora-Fonz, Alexander Shluger, Yu Kumagai, Fumiyasu Oba

The Journal of Physical Chemistry C   126 ( 44 )   18833 - 18838   2022年11月

Hole-Doping to a Cu(I)-Based Semiconductor with an Isovalent Cation: Utilizing a Complex Defect as a Shallow Acceptor

Kosuke Matsuzaki, Naoki Tsunoda, Yu Kumagai, Yalun Tang, Kenji Nomura, Fumiyasu Oba, Hideo Hosono

Journal of the American Chemical Society   144 ( 36 )   16572 - 16578   2022年9月

Switchable Electric Dipole from Polaron Localization in Dielectric Crystals

Kazuki Morita, Yu Kumagai, Fumiyasu Oba, Aron Walsh

Physical Review Letters   129 ( 1 )   2022年6月

Phase variation of ferroelectric Li2Sr1−xCax(Nb1−xTax)2O7 by selective reinforcement in the (Nb,Ta)-O covalent bonds

Akitoshi Nakano, Hirokazu Shirakuni, Takayuki Nagai, Yasuhide Mochizuki, Fumiyasu Oba, Hiroko Yokota, Shogo Kawaguchi, Ichiro Terasaki, Hiroki Taniguchi

Physical Review Materials   6 ( 4 )   2022年4月

Recommendation of interstitial hydrogen positions in metal oxides

Naoki Tsunoda, Yu Kumagai, Fumiyasu Oba

Computational Materials Science   203   111068 - 111068   2022年2月

Defect formation and carrier compensation in layered oxychalcogenide La2CdO2Se2: an insight from first principles

Tomoya Gake, Yu Kumagai, Akira Takahashi, Hidenori Hiramatsu, Fumiyasu Oba

Journal of Materials Chemistry C   10 ( 44 )   16828 - 16837   2022年

Tuning the optical band gap and electrical properties of NiO thin films by nitrogen doping: a joint experimental and theoretical study

Yong Wang, Stéphanie Bruyère, Yu Kumagai, Naoki Tsunoda, Fumiyasu Oba, Jaafar Ghanbaja, Hui Sun, Bo Dai, Jean-François Pierson

RSC Advances   12 ( 34 )   21940 - 21945   2022年

Insights into oxygen vacancies from high-throughput first-principles calculations

Yu Kumagai, Naoki Tsunoda, Akira Takahashi, Fumiyasu Oba

Physical Review Materials   2021年12月

Theoretical Prediction and Thin-Film Growth of the Defect-Tolerant Nitride Semiconductor YZn3N3

Ryosuke Kikuchi, Toru Nakamura, Takahiro Kurabuchi, Yasushi Kaneko, Yu Kumagai, Fumiyasu Oba

Chemistry of Materials   2021年10月

Point defects in p -type transparent conductive CuMO2 ( M=Al , Ga, In) from first principles

Tomoya Gake, Yu Kumagai, Akira Takahashi, Fumiyasu Oba

Physical Review Materials   5 ( 10 )   2021年10月

SrZn2N2 as a Solar Absorber: Theoretical Defect Chemistry and Synthesis by Metal Alloy Nitridation 査読

Ryosuke Kikuchi, Koki Ueno, Toru Nakamura, Takahiro Kurabuchi, Yasushi Kaneko, Yu Kumagai, Fumiyasu Oba

Chemistry of Materials   33 ( 8 )   2864 - 2870   2021年4月

Coexisting Mechanisms for the Ferroelectric Phase Transition in Li2SrNb2O7 査読

Yasuhide Mochizuki, Takayuki Nagai, Hirokazu Shirakuni, Akitoshi Nakano, Fumiyasu Oba, Ichiro Terasaki, Hiroki Taniguchi

Chemistry of Materials   33 ( 4 )   1257 - 1264   2021年2月

Antiferroelectricity and robust dielectric response owing to competing polar and antipolar instabilities in tetragonal tungsten bronze K2RNb5O15 ( R : rare-earth) 査読

Tomoki Murata, Hirofumi Akamatsu, Daisuke Hirai, Fumiyasu Oba, Sakyo Hirose

Physical Review Materials   4 ( 10 )   104419   2020年10月

Machine learning models for predicting the dielectric constants of oxides based on high-throughput first-principles calculations 査読

Akira Takahashi, Yu Kumagai, Jun Miyamoto, Yasuhide Mochizuki, Fumiyasu Oba

Physical Review Materials   2020年10月

Data-Mining Element Charges in Inorganic Materials 査読

Yu Ding, Yu Kumagai, Fumiyasu Oba, Lee A. Burton

The Journal of Physical Chemistry Letters   8264 - 8267   2020年10月

Unraveling crystal symmetry and strain effects on electronic band structures of SiC polytypes 査読

Yuichiro Kuroiwa, Yu-ichiro Matsushita, Fumiyasu Oba

AIP Advances   2020年10月

Surface reconstruction and band alignment of nonmetallic A(II)B(IV)O3 perovskites 査読

Ha-Jun Sung, Yasuhide Mochizuki, Fumiyasu Oba

Physical Review Materials   4 ( 4 )   044606   2020年4月

Theoretical exploration of mixed-anion antiperovskite semiconductors M3XN(M=Mg,Ca,Sr,Ba;X=P,As,Sb,Bi) 査読

Yasuhide Mochizuki, Ha-Jun Sung, Akira Takahashi, Yu Kumagai, Fumiyasu Oba

Physical Review Materials   2020年4月

Phonon scattering limited mobility in the representative cubic perovskite semiconductors SrGeO3 , BaSnO3 , and SrTiO3 査読

Christian A. Niedermeier, Yu Kumagai, Keisuke Ide, Takayoshi Katase, Fumiyasu Oba, Hideo Hosono, Toshio Kamiya

Physical Review B   101 ( 12 )   2020年3月

Phase Transition from Weak Ferroelectricity to Incipient Ferroelectricity in Li2Sr(Nb1–xTax)2O7 査読

Takayuki Nagai, Yasuhide Mochizuki, Hirokazu Shirakuni, Akitoshi Nakano, Fumiyasu Oba, Ichiro Terasaki, Hiroki Taniguchi

Chemistry of Materials   2020年1月

Finite-size corrections for defect-involving vertical transitions in supercell calculations 査読

Tomoya Gake, Yu Kumagai, Christoph Freysoldt, Fumiyasu Oba

Physical Review B   2020年1月

Stabilization of small polarons in BaTiO3 by local distortions 査読

Naoki Tsunoda, Yu Kumagai, Fumiyasu Oba

Physical Review Materials   3 ( 11 )   2019年11月

Spin-Glass Magnetic Properties of A-Site Columnar-Ordered Quadruple Perovskites Y2MnGa(Mn4–xGax)O12 with 0 ≤ x ≤ 3 査読

Ran Liu, Dmitry D. Khalyavin, Naoki Tsunoda, Yu Kumagai, Fumiyasu Oba, Yoshio Katsuya, Masahiko Tanaka, Kazunari Yamaura, Alexei A. Belik

Inorganic Chemistry   2019年11月

Correction to “Effect of MnO2 Crystal Structure on Aerobic Oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic Acid” 査読

Eri Hayashi, Yui Yamaguchi, Keigo Kamata, Naoki Tsunoda, Yu Kumagai, Fumiyasu Oba, Michikazu Hara

Journal of the American Chemical Society   141 ( 46 )   18642   2019年11月

Theoretical prediction of strain-induced carrier effective mass modulation in 4H-SiC and GaN 査読

Kuroiwa Yuichiro, Matsushita Yu-ichiro, Harada Kou, Oba Fumiyasu

Applied Physics Letters   115 ( 11 )   112102   2019年9月

Achieving non-degenerate Zn3N2 thin films by near room temperature sputtering deposition 査読

Wang Yong, Ohsawa Takeo, Kumagai Yu, Harada Kou, Oba Fumiyasu, Ohashi Naoki

Applied Physics Letters   115 ( 9 )   2019年8月

Energetics and electronic structure of native point defects in alpha-Ga2O3 査読

Kobayashi Takuma, Gake Tomoya, Kumagai Yu, Oba Fumiyasu, Matsushita Yu-ichiro

Applied Physics Express   12 ( 9 )   2019年8月

Band alignment at surfaces and heterointerfaces of Al2O3, Ga2O3, In2O3, and related group-III oxide polymorphs: A first-principles study 査読

Hinuma Yoyo, Gake Tomoya, Oba Fumiyasu

Physical Review Materials   3 ( 8 )   2019年8月

Zinc-based spinel cathode materials for magnesium rechargeable batteries: toward the reversible spinel-rocksalt transition 査読

Kohei Shimokawa, Taruto Atsumi, Maho Harada, Robyn E. Ward, Masanobu Nakayama, Yu Kumagai, Fumiyasu Oba, Norihiko L. Okamoto, Kiyoshi Kanamura, Tetsu Ichitsubo

JOURNAL OF MATERIALS CHEMISTRY A   7 ( 19 )   12225 - 12235   2019年5月

First-principles study of self-trapped holes and acceptor impurities in Ga2O3 polymorphs 査読

Gake Tomoya, Kumagai Yu, Oba Fumiyasu

Physical Review Materials   3 ( 4 )   2019年4月

Native point defects and carbon clusters in 4H-SiC: A hybrid functional study 査読

Kobayashi Takuma, Harada Kou, Kumagai Yu, Oba Fumiyasu, Matsushita Yu-ichiro

Journal of Applied Physics   125 ( 12 )   2019年3月

Direct Observation of Magnetization Reversal by Electric Field at Room Temperature in Co-Substituted Bismuth Ferrite Thin Film 査読

Shimizu Keisuke, Kawabe Ryo, Hojo Hajime, Shimizu Haruki, Yamamoto Hajime, Katsumata Marin, Shigematsu Kei, Mibu Ko, Kumagai Yu, Oba Fumiyasu, Azuma Masaki

Nano Letters   19 ( 3 )   1767 - 1773   2019年3月

One-dimensionally extended oxygen vacancy states in perovskite oxides 査読

Tsunoda Naoki, Kumagai Yu, Araki Masahiko, Oba Fumiyasu

Physical Review B   99 ( 6 )   2019年2月

Effect of MnO2 Crystal Structure on Aerobic Oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic Acid 査読

Hayashi Eri, Yamaguchi Yui, Kamata Keigo, Tsunoda Naoki, Kumagai Yu, Oba Fumiyasu, Hara Michikazu

Journal of the American Chemical Society   141 ( 2 )   890 - 900   2019年1月

Fast Diffusion of Multivalent Ions Facilitated by Concerted Interactions in Dual-Ion Battery Systems 査読

Hongyi Li, Norihiko L. Okamoto, Takuya Hatakeyama, Yu Kumagai, Fumiyasu Oba, Tetsu Ichitsubo

ADVANCED ENERGY MATERIALS   8 ( 27 )   2018年9月

Design and exploration of semiconductors from first principles: A review of recent advances 査読

Fumiyasu Oba, Yu Kumagai

Applied Physics Express   11 ( 6 )   060101   2018年6月

Point Defects and p-Type Doping in ScN from First Principles 査読

Yu Kumagai, Naoki Tsunoda, Fumiyasu Oba

Physical Review Applied   9 ( 3 )   034019   2018年3月

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

Hinuma Yoyo, Kumagai Yu, Tanaka Isao, Oba Fumiyasu

Physical Review Materials   2 ( 12 )   2018年

High-Mobility p-Type and n-Type Copper Nitride Semiconductors by Direct Nitriding Synthesis and In Silico Doping Design. 査読

Matsuzaki Kosuke, Harada Kou, Kumagai Yu, Koshiya Shogo, Kimoto Koji, Ueda Shigenori, Sasase Masato, Maeda Akihiro, Susaki Tomofumi, Kitano Masaaki, Oba Fumiyasu, Hosono Hideo

Advanced Materials   30 ( 31 )   e1801968   2018年

Heterogeneously Catalyzed Aerobic Oxidation of Sulfides with a BaRuO3 Nanoperovskite. 査読

Kamata Keigo, Sugahara Kosei, Kato Yuuki, Muratsugu Satoshi, Kumagai Yu, Oba Fumiyasu, Hara Michikazu

ACS Applied Materials & Interfaces   10 ( 28 )   23792 - 23801   2018年

Electrically Benign Defect Behavior in Zinc Tin Nitride Revealed from First Principles 査読

Tsunoda Naoki, Kumagai Yu, Takahashi Akira, Oba Fumiyasu

Physical Review Applied   10 ( 1 )   014015   2018年

Strain-engineered Peierls instability in layered perovskite La3Ni2O7 from first principles 査読

Mochizuki Yasuhide, Akamatsu Hirofumi, Kumagai Yu, Oba Fumiyasu

Physical Review Materials   2 ( 12 )   2018年

Polar metallic behavior of strained antiperovskites ACNi(3) (A = Mg, Zn, and Cd) from first principles 査読

Mochizuki Yasuhide, Kumagai Yu, Akamatsu Hirofumi, Oba Fumiyasu

Physical Review Materials   2 ( 12 )   2018年

Complex Structural Behavior of BiMn7O12 Quadruple Perovskite 査読

Alexei A. Belik, Yoshitaka Matsushita, Yu Kumagai, Yoshio Katsuya, Masahiko Tanaka, Sergey Yu. Stefanovich, Bogdan I. Lazoryak, Fumiyasu Oba, Kazunari Yamaura

INORGANIC CHEMISTRY   56 ( 20 )   12272 - 12281   2017年10月

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

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

PHYSICAL REVIEW B   96 ( 9 )   094102   2017年9月

Perovskite-Type InCoO3 with Low-Spin Co3+: Effect of In-O Covalency on Structural Stabilization in Comparison with Rare-Earth Series 査読

Koji Fujita, Takahiro Kawamoto, Ikuya Yamada, Olivier Hernandez, Hirofumi Akamatsu, Yu Kumagai, Fumiyasu Oba, Pascal Manuel, Ryo Fujikawa, Suguru Yoshida, Masayuki Fukuda, Katsuhisa Tanaka

INORGANIC CHEMISTRY   56 ( 18 )   11113 - 11122   2017年9月

Carrier-Induced Band-Gap Variation and Point Defects in Zn3N2 from First Principles 査読

Yu Kumagai, Kou Harada, Hirofumi Akamatsu, Kosuke Matsuzaki, Fumiyasu Oba

PHYSICAL REVIEW APPLIED   8 ( 1 )   014015   2017年7月

DFT investigation into the underperformance of sulfide materials in photovoltaic applications 査読

Lee A. Burton, Yu Kumagai, Aron Walsh, Fumiyasu Oba

JOURNAL OF MATERIALS CHEMISTRY A   5 ( 19 )   9132 - 9140   2017年5月

Lattice dynamics of the tin sulphides SnS2, SnS and Sn2S3: vibrational spectra and thermal transport 査読

Jonathan M. Skelton, Lee A. Burton, Adam J. Jackson, Fumiyasu Oba, Stephen C. Parker, Aron Walsh

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   19 ( 19 )   12452 - 12465   2017年5月

Chemical and Lattice Stability of the Tin Sulfides 査読

Jonathan M. Skelton, Lee A. Burton, Fumiyasu Oba, Aron Walsh

JOURNAL OF PHYSICAL CHEMISTRY C   121 ( 12 )   6446 - 6454   2017年3月

Theory of ionization potentials of nonmetallic solids 査読

Yu Kumagai, Keith T. Butler, Aron Walsh, Fumiyasu Oba

PHYSICAL REVIEW B   95 ( 12 )   125309   2017年3月

Metastable cubic tin sulfide: A novel phonon-stable chiral semiconductor 査読

Jonathan M. Skelton, Lee A. Burton, Fumiyasu Oba, Aron Walsh

APL MATERIALS   5 ( 3 )   036101   2017年3月

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

Yoyo Hinuma, Yu Kumagai, Isao Tanaka, Fumiyasu Oba

PHYSICAL REVIEW B   95 ( 7 )   075302   2017年2月

Unusual magnetic structure of the high-pressure synthesized perovskites ACrO(3) (A = Sc, In, Tl) 査読

Lei Ding, Pascal Manuel, Dmitry D. Khalyavin, Fabio Orlandi, Yu Kumagai, Fumiyasu Oba, Wei Yi, Alexei A. Belik

PHYSICAL REVIEW B   95 ( 5 )   054432   2017年2月

Band structure diagram paths based on crystallography 査読

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

COMPUTATIONAL MATERIALS SCIENCE   128   140 - 184   2017年2月

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

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

ADVANCED SCIENCE   4 ( 1 )   1600246   2017年1月

第一原理計算による半導体の物性予測と物質探索

大場 史康, 日沼 洋陽, 熊谷 悠

まてりあ   56 ( 9 )   554 - 559   2017年

Ligancy-Driven Controlling of Covalency and Metallicity in a Ruthenium Two-Dimensional System 査読

Satoshi Toyoda, Katsutoshi Fukuda, Koji Horiba, Masaharu Oshima, Kazuhiro Kumagai, Yu Kumagai, Fumiyasu Oba, Yoshiharu Uchimoto, Eiichiro Matsubara

CHEMISTRY OF MATERIALS   28 ( 16 )   5784 - 5790   2016年8月

Electronic Structure and Defect Physics of Tin Sulfides: SnS, Sn2S3, and SnS2 査読

Yu Kumagai, Lee A. Burton, Aron Walsh, Fumiyasu Oba

PHYSICAL REVIEW APPLIED   6 ( 1 )   014009   2016年7月

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

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

NATURE COMMUNICATIONS   7   11962   2016年6月

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

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

JOURNAL OF PHYSICAL CHEMISTRY C   120 ( 18 )   9604 - 9611   2016年5月

Categorization of surface polarity from a crystallographic approach 査読

Yoyo Hinuma, Yu Kumagai, Fumiyasu Oba, Isao Tanaka

COMPUTATIONAL MATERIALS SCIENCE   113   221 - 230   2016年2月

LiNbO3-Type Oxide (Tl1-xScx)ScO3: High-Pressure Synthesis, Crystal Structure, and Electronic Properties 査読

Alexei A. Belik, Wei Yi, Yu Kumaga, Yoshio Katsuya, Masahiko Tanaka, Fumiyasu Oba

INORGANIC CHEMISTRY   55 ( 4 )   1940 - 1945   2016年2月

Predictions of Point Defect, Surface, and Interface Properties in Semiconductors Using First-Principles Calculations 査読

Fumiyasu Oba

FRONTIERS IN MATERIALS SCIENCE (FMS2015)   1763   2016年

立方晶窒化ホウ素中に形成された複合点欠陥

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

まてりあ   55 ( 12 )   609 - 609   2016年

Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites 査読

Keith T. Butler, Yu Kumagai, Fumiyasu Oba, Aron Walsh

JOURNAL OF MATERIALS CHEMISTRY C   4 ( 6 )   1149 - 1158   2016年

Intercalation and Push-Out Process with Spinel-to-Rocksalt Transition on Mg Insertion into Spinel Oxides in Magnesium Batteries 査読

Shinya Okamoto, Tetsu Ichitsubo, Tomoya Kawaguchi, Yu Kumagai, Fumiyasu Oba, Shunsuke Yagi, Kohei Shimokawa, Natsumi Goto, Takayuki Doi, Eiichiro Matsubara

ADVANCED SCIENCE   2 ( 8 )   1500072   2015年8月

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

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

JOURNAL OF CRYSTAL GROWTH   416   126 - 129   2015年4月

Toward "rocking-chair type" Mg-Li dual-salt batteries 査読

Tetsu Ichitsubo, Shinya Okamoto, Tomoya Kawaguchi, Yu Kumagai, Fumiyasu Oba, Shunsuke Yagi, Natsumi Goto, Takayuki Doi, Eiichiro Matsubara

JOURNAL OF MATERIALS CHEMISTRY A   3 ( 19 )   10188 - 10194   2015年

Band alignment of semiconductors from density-functional theory and many-body perturbation theory 査読

Yoyo Hinuma, Andreas Grueneis, Georg Kresse, Fumiyasu Oba

PHYSICAL REVIEW B   90 ( 15 )   155405   2014年10月

First-principles study of point defects in chalcopyrite ZnSnP2 査読

Yu Kumagai, Minseok Choi, Yoshitaro Nose, Fumiyasu Oba

PHYSICAL REVIEW B   90 ( 12 )   125202   2014年9月

Electrostatics-based finite-size corrections for first-principles point defect calculations 査読

Yu Kumagai, Fumiyasu Oba

PHYSICAL REVIEW B   89 ( 19 )   195205   2014年5月

Ionization Potentials of Solids: The Importance of Vertex Corrections 査読

Andreas Grueneis, Georg Kresse, Yoyo Hinuma, Fumiyasu Oba

PHYSICAL REVIEW LETTERS   112 ( 9 )   096401   2014年3月

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

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

SCIENTIFIC REPORTS   4   3778   2014年1月

Local environment of silicon in cubic boron nitride 査読

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

JOURNAL OF APPLIED PHYSICS   114 ( 23 )   233502   2013年12月

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

Yoyo Hinuma, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   88 ( 7 )   075319   2013年8月

酸化物・窒化物半導体における点欠陥の電子構造と機能 : 第一原理計算による新しい理解

大場 史康

まてりあ : 日本金属学会会報   52 ( 7 )   350 - 356   2013年7月

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

Yoyo Hinuma, Fumiyasu Oba, Yu Kumagai, Isao Tanaka

PHYSICAL REVIEW B   88 ( 3 )   2013年7月

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

Yoyo Hinuma, Fumiyasu Oba, Yoshitaro Nose, Isao Tanaka

JOURNAL OF APPLIED PHYSICS   114 ( 4 )   043718   2013年7月

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

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

APPLIED PHYSICS EXPRESS   6 ( 6 )   061201   2013年6月

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

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

ADVANCED FUNCTIONAL MATERIALS   23 ( 15 )   1864 - 1872   2013年4月

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

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

PHYSICAL REVIEW LETTERS   110 ( 6 )   065504   2013年2月

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

Minseok Choi, Fumiyasu Oba, Yu Kumagai, Isao Tanaka

ADVANCED MATERIALS   25 ( 1 )   86 - 90   2013年1月

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

Yoyo Hinuma, Fumiyasu Oba, Yu Kumagai, Isao Tanaka

PHYSICAL REVIEW B   86 ( 24 )   2012年12月

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

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

APPLIED PHYSICS LETTERS   101 ( 24 )   2012年12月

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

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

INORGANIC CHEMISTRY   51 ( 8 )   4560 - 4567   2012年4月

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

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

PHYSICAL REVIEW B   85 ( 3 )   2012年1月

第一原理熱力学計算によるセラミックス材料の相平衡 査読

世古 敦人, 大場 史康, 熊谷 悠, 田中 功

セラミックス   47 ( 7 )   494 - 499   2012年1月

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

田中 功, 世古 敦人, 大場 史康

工業材料   60 ( 4 )   23 - 26   2012年1月

Ground-state search in multicomponent magnetic systems 査読

Yu Kumagai, Atsuto Seko, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   85 ( 1 )   2012年1月

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

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

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   14 ( 35 )   12339 - 12346   2012年

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

Shota Katayama, Hiroyuki Hayashi, Fumiyasu Oba, Isao Tanaka

JAPANESE JOURNAL OF APPLIED PHYSICS   50 ( 7 )   2011年7月

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

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

PHYSICAL REVIEW B   83 ( 21 )   2011年6月

Point defects in ZnO: an approach from first principles 査読

Fumiyasu Oba, Minseok Choi, Atsushi Togo, Isao Tanaka

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS   12 ( 3 )   2011年6月

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

Minseok Choi, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   83 ( 21 )   2011年6月

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

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

JOURNAL OF MATERIALS SCIENCE   46 ( 12 )   4169 - 4175   2011年6月

Electronic and structural properties of the oxygen vacancy in BaTiO3 査読

Minseok Choi, Fumiyasu Oba, Isao Tanaka

APPLIED PHYSICS LETTERS   98 ( 17 )   2011年4月

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

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

JOURNAL OF MATERIALS RESEARCH   26 ( 4 )   578 - 583   2011年2月

Native defects in oxide semiconductors: a density functional approach 査読

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

JOURNAL OF PHYSICS-CONDENSED MATTER   22 ( 38 )   2010年9月

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

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

JOURNAL OF PHYSICS-CONDENSED MATTER   22 ( 38 )   2010年9月

Non-Fermi-Liquid Behavior on an Iron-Based Itinerant Electron Magnet Fe3Mo3N 査読

Takeshi Waki, Shinsuke Terazawa, Yoshikazu Tabata, Fumiyasu Oba, Chishiro Michioka, Kazuyoshi Yoshimura, Shugo Ikeda, Hisao Kobayashi, Kenji Ohoyama, Hiroyuki Nakamura

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN   79 ( 4 )   2010年4月

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

Atsuto Seko, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   81 ( 5 )   2010年2月

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

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

PHYSICAL REVIEW B   81 ( 7 )   2010年2月

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

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

JOURNAL OF MATERIALS CHEMISTRY   20 ( 46 )   10335 - 10344   2010年

Role of Ti Antisitelike Defects in SrTiO3 査読

Minseok Choi, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW LETTERS   103 ( 18 )   2009年10月

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

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

PHYSICAL REVIEW B   80 ( 8 )   2009年8月

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

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

PHYSICAL REVIEW B   80 ( 2 )   2009年7月

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

Minseok Choi, Katsuyuki Matsunaga, Fumiyasu Oba, Isao Tanakat

JOURNAL OF PHYSICAL CHEMISTRY C   113 ( 9 )   3869 - 3873   2009年3月

First principles calculations of advanced nitrides, oxides and alloys 査読

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

SIAIONS AND NON-OXIDES   403   73 - +   2009年

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

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

PHYSICAL REVIEW B   78 ( 21 )   2008年12月

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

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

MATERIALS TRANSACTIONS   49 ( 11 )   2484 - 2490   2008年11月

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

Atsushi Togo, Fumiyasu Oba, Isao Tanaka

Physical Review B - Condensed Matter and Materials Physics   78 ( 13 )   2008年10月

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

Atsushi Togo, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   78 ( 13 )   2008年10月

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

Minseok Choi, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   78 ( 1 )   2008年7月

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

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

PHYSICAL REVIEW B   77 ( 24 )   2008年6月

Transition pathway of C O2 crystals under high pressures 査読

Atsushi Togo, Fumiyasu Oba, Isao Tanaka

Physical Review B - Condensed Matter and Materials Physics   77 ( 18 )   2008年5月

Transition pathway of CO2 crystals under high pressures 査読

Atsushi Togo, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   77 ( 18 )   2008年5月

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

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

PHYSICAL REVIEW B   77 ( 15 )   2008年4月

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

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

PHYSICAL REVIEW B   77 ( 9 )   2008年3月

First principles calculations for modern ceramic science and engineering 査読

Isao Tanaka, Fumiyasu Oba

JOURNAL OF PHYSICS-CONDENSED MATTER   20 ( 6 )   2008年2月

Structure and stability of a homologous series of tin oxides 査読

Atsuto Seko, Atsushi Togo, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW LETTERS   100 ( 4 )   2008年2月

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

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

JOURNAL OF APPLIED PHYSICS   103 ( 1 )   2008年1月

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

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

JOURNAL OF SOLID STATE CHEMISTRY   181 ( 1 )   137 - 142   2008年1月

Structures and energetics of Ga2O3 polymorphs 査読

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

JOURNAL OF PHYSICS-CONDENSED MATTER   19 ( 34 )   2007年8月

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

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

PHYSICAL REVIEW B   76 ( 4 )   2007年7月

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

Rong Huang, Hiroyuki Hayashi, Fumiyasu Oba, Isao Tanaka

JOURNAL OF APPLIED PHYSICS   101 ( 6 )   2007年3月

Awaking of ferromagnetism in GaMnN through control of Mn valence 査読

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, H. Hori

APPLIED PHYSICS LETTERS   90 ( 1 )   2007年1月

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

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

JOURNAL OF PHYSICS-CONDENSED MATTER   19 ( 4 )   2007年1月

Atomic-scale processes of grain-boundary faceting in a zirconia bicrystal 査読

Shibata Naoya, Oba Fumiyasu, Yamamoto Takahisa, Ikuhara Yuichi, Kang SJL, Huh MY, Hwang NM, Homma H, Ushioda K, Ikuhara Y

558-559   955 - 958   2007年

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

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

ECS Transactions   11 ( 1 )   749 - 758   2007年

GRAIN-BOUNDARY ATOMIC STRUCTURES IN ZIRCONIA CERAMICS 査読

Naoya Shibata, Fumiyasu Oba, Takahisa Yamamoto, Yuichi Ikuhara

MECHANICAL PROPERTIES AND PERFORMANCE OF ENGINEERING CERAMICS AND COMPOSITES II   27 ( 2 )   171 - +   2007年

ジルコニア〓9粒界の周期ユニット構造

柴田 直哉, 幾原 雄一, 大場 史康, 山本 剛久

まてりあ : 日本金属学会会報   45 ( 12 )   842 - 842   2006年12月

First-principles calculations of native defects in tin monoxide 査読

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

PHYSICAL REVIEW B   74 ( 19 )   2006年11月

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

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

PHYSICAL REVIEW B   74 ( 17 )   2006年11月

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

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

APPLIED PHYSICS LETTERS   89 ( 18 )   2006年10月

Gas-phase surface alloying under "kinetic control": A novel approach to improving the surface properties of titanium alloys 査読

F. Ernst, G. M. Michal, F. Oba, L. Liu, J. Blush, A. H. Heuer

Zeitschrift fuer Metallkunde/Materials Research and Advanced Techniques   97 ( 5 )   597 - 606   2006年5月

Coexistence of Mn2+ and Mn3+ in ferromagnetic GaMnN 査読

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

JOURNAL OF PHYSICS-CONDENSED MATTER   18 ( 19 )   4615 - 4621   2006年5月

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

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

PHYSICAL REVIEW B   73 ( 18 )   2006年5月

Gas-phase surface alloying under "kinetic control": A novel approach to improving the surface properties of titanium alloys 査読

F. Ernst, G. M. Michal, F. Oba, L. Liu, J. Blush, A. H. Heuer

INTERNATIONAL JOURNAL OF MATERIALS RESEARCH   97 ( 5 )   597 - 606   2006年5月

Carbon supersaturation due to paraequilibrium carburization: Stainless steels with greatly improved mechanical properties 査読

GM Michal, F Ernst, H Kahn, Y Cao, F Oba, N Agarwal, AH Heuer

ACTA MATERIALIA   54 ( 6 )   1597 - 1606   2006年4月

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

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

JOURNAL OF PHYSICAL CHEMISTRY B   110 ( 16 )   8258 - 8262   2006年4月

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

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

PHYSICAL REVIEW B   73 ( 9 )   2006年3月

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

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

PHYSICAL REVIEW B   73 ( 6 )   2006年2月

First-principles study of cation disordering in Mg Al2 O4 spinel with cluster expansion and Monte Carlo simulation 査読

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

Physical Review B - Condensed Matter and Materials Physics   73 ( 9 )   2006年

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

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

Physical Review B - Condensed Matter and Materials Physics   74 ( 17 )   2006年

ZnOにおける不純物偏析および電気特性の粒界依存性

佐藤 幸生, 大場 史康, 淀川 正忠, 山本 剛久, 幾原 雄一

まてりあ : 日本金属学会会報   44 ( 12 )   965 - 965   2005年12月

Identification of Mg Vacancy in MgO by Positron Lifetime Measurements and First-Principles Calculations 査読

Masataka Mizuno, Hideki Araki, Yasuharu Shirai, Fumiyasu Oba, Isao Tanaka

Defect and Diffusion Forum   242-244   1 - 8   2005年9月

Arrangement of multiple structural units in a [0001] Sigma 49 tilt grain boundary in ZnO 査読

Y Sato, T Mizoguchi, F Oba, Y Ikuhara, T Yamamoto

PHYSICAL REVIEW B   72 ( 6 )   2005年8月

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

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

PHYSICAL REVIEW B   72 ( 2 )   2005年7月

Atomic and electronic structure of [0001]/((1)over-bar(2)over-bar-30) Sigma 7 symmetric tilt grain boundary in ZnO bicrystal with linear current-voltage characteristic 査読

Y Sato, T Mizoguchi, F Oba, M Yodogawa, T Yamamoto, Y Ikuhara

JOURNAL OF MATERIALS SCIENCE   40 ( 12 )   3059 - 3066   2005年6月

Effect of boundary plane on the atomic structure of [0001] Sigma 7 tilt grain boundaries in ZnO 査読

F Oba, Y Sato, T Yamamoto, H Ohta, H Hosono, Y Ikuhara

JOURNAL OF MATERIALS SCIENCE   40 ( 12 )   3067 - 3074   2005年6月

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

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

APPLIED PHYSICS LETTERS   86 ( 12 )   2005年3月

Epitaxial electrodeposition of high-aspect-ratio CU2O(110) nanostructures on InP(111) 査読

R Liu, EA Kulp, F Oba, EW Bohannan, F Ernst, JA Switzer

CHEMISTRY OF MATERIALS   17 ( 4 )   725 - 729   2005年2月

Systematic study of grain boundary atomistic structures and related properties in cubic zirconia bicrystals 査読

N Shibata, F Oba, T Yamamoto, Y Ikuhara

ZEITSCHRIFT FUR METALLKUNDE   96 ( 2 )   177 - 185   2005年2月

Epitaxial growth of cuprous oxide electrodeposited onto semiconductor and metal substrates 査読

F Oba, F Ernst, YS Yu, R Liu, M Kothari, JA Switzer

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   88 ( 2 )   253 - 270   2005年2月

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

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

PHYSICAL REVIEW LETTERS   94 ( 3 )   2005年1月

原子・電子レベルで見た酸化物界面の構造

大場 史康

まてりあ   44 ( 8 )   687 - 690   2005年

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

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

DEFECTS AND DIFFUSION IN CERAMICS: AN ANNUAL RETROSPECTIVE VII   242-244   1 - 7   2005年

Improvement of in-plane alignment and superconducting characteristics of SmBa2Cu3Oy film on textured NiO/Ni substrate by using BaZrO3 buffer layer

Teruo Izumi, Katsuya Hasegawa, Toru Izumi, Yuh Shiohara, Yoshihiro Sugawara, Tsukasa Hirayama, Fumiyasu Oba, Yuichi Ikuhara

Proceedings - Electrochemical Society   PV 2003-29   270 - 282   2005年

ZnO中の傾角粒界の原子構造

大場 史康, 太田 裕道, 細野 秀雄, 佐藤 幸生, 山本 剛久, 幾原 雄一

まてりあ : 日本金属学会会報   43 ( 12 )   985 - 985   2004年12月

Atomic structure of [0001]-tilt grain boundaries in ZnO: A high-resolution TEM study of fiber-textured thin films 査読

F Oba, H Ohta, Y Sato, H Hosono, T Yamamoto, Y Ikuhara

PHYSICAL REVIEW B   70 ( 12 )   2004年9月

Atomic structure of [0001]-tilt grain boundaries in ZnO: A high-resolution TEM study of fiber-textured thin films 査読

Fumiyasu Oba, Hiromichi Ohta, Yukio Sato, Hideo Hosono, Takahisa Yamamoto, Yuichi Ikuhara

Physical Review B - Condensed Matter and Materials Physics   70 ( 12 )   1 - 125415   2004年9月

Interfacial structures of Y123 and Nd123 films formed on MgO(001) substrates by liquid phase epitaxy 査読

JS Matsuda, F Oba, T Murata, T Yamamoto, Y Ikuhara, M Mizuno, K Nomura, T Izumi, Y Shiohara

JOURNAL OF MATERIALS RESEARCH   19 ( 9 )   2674 - 2682   2004年9月

Structure, energy and solute segregation behaviour of [110] symmetric tilt grain boundaries in yttria-stabilized cubic zirconia 査読

N Shibata, F Oba, T Yamamoto, Y Ikuhara

PHILOSOPHICAL MAGAZINE   84 ( 23 )   2381 - 2415   2004年8月

Identification of native defects around grain boundary in Pr-doped ZnO bicrystal using electron energy loss spectroscopy and first-principles calculations 査読

Y Sato, T Mizoguchi, F Oba, M Yodogawa, T Yamamoto, Y Ikuhara

APPLIED PHYSICS LETTERS   84 ( 26 )   5311 - 5313   2004年6月

Effectiveness of BaZrO3 buffer layer in SmBa2Cu3Oy epitaxial growth on MgO substrate: A first-principles study 査読

F Oba, Y Sugawara, K Hasegawa, T Izumi, Y Shiohara, T Hirayama, T Yamamoto, Y Ikuhara

JOURNAL OF APPLIED PHYSICS   95 ( 5 )   2309 - 2318   2004年3月

Grain boundary dependency of nonlinear current-voltage characteristics in Pr and Co doped ZnO bicrystals 査読

Y Sato, F Oba, M Yodogawa, T Yamamoto, Y Ikuhara

JOURNAL OF APPLIED PHYSICS   95 ( 3 )   1258 - 1264   2004年2月

Shape control in epitaxial electrodeposition: Cu2O nanocubes on InP(001) 査読

R Liu, F Oba, EW Bohannan, F Ernst, JA Switzer

CHEMISTRY OF MATERIALS   15 ( 26 )   4882 - 4885   2003年12月

Improvement of superconducting properties of SmBa2C3Oy films on MgO substrate by using BaZrO3 buffer layer 査読

K Hasegawa, J Shibata, T Izumi, Y Shiohara, Y Sugawara, T Hirayama, F Oba, Y Ikuhara

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS   392   835 - 840   2003年10月

Al-doped ZnO ceramics fabricated by mechanical alloying and high-pressure sintering technique 査読

Y Sato, F Oba, M Yodogawa, T Yamamoto, Y Ikuhara

JOURNAL OF MATERIALS SCIENCE LETTERS   22 ( 17 )   1201 - 1204   2003年9月

Epitaxial electrodeposition of Cu2O films onto InP(001) 査読

R Liu, EW Bohannan, JA Switzer, F Oba, F Ernst

APPLIED PHYSICS LETTERS   83 ( 10 )   1944 - 1946   2003年9月

Current-voltage characteristics of cobalt-doped inversion boundaries in zinc oxide bicrystals 査読

F Oba, Y Sato, T Yamamoto, Y Ikuhara, T Sakuma

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   86 ( 9 )   1616 - 1618   2003年9月

Grain-boundary faceting at a Σ = 3, [110]/{112} grain boundary in a cubic zirconia bicrystal 査読

Naoya Shibata, Fumiyasu Oba, Takahisa Yamamoto, Taketo Sakuma, Yuichi Ikuhara

Philosophical Magazine   83 ( 19 )   2221 - 2246   2003年7月

Grain-boundary faceting at a Sigma=3, [110]/{112} grain boundary in a cubic zirconia bicrystal 査読

N Shibata, F Oba, T Yamamoto, T Sakuma, Y Ikuhara

PHILOSOPHICAL MAGAZINE   83 ( 19 )   2221 - 2246   2003年7月

Mechanism for improvement of in-plane alignment of SmBa2Cu3Oy films by BaZrO3 buffer layer on MgO substrate 査読

K Hasegawa, T Izumi, Y Shiohara, Y Sugawara, T Hirayama, F Oba, Y Ikuhara

JOURNAL OF THE JAPAN INSTITUTE OF METALS   67 ( 6 )   295 - 301   2003年6月

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

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

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY   91 ( 2 )   208 - 210   2003年1月

Electronic states associated with bond disorder at ZnO grain boundaries 査読

F Oba, Tanaka, I, H Adachi

ADVANCES IN QUANTUM CHEMISTRY, VOL 42   42   175 - 186   2003年

Non-linear current-voltage characteristics related to native defects in SrTiO3 and ZnO bicrystals 査読

Yukio Sato, Tomohito Tanaka, Fumiyasu Oba, Takahisa Yamamoto, Yuichi Ikuhara, Taketo Sakuma

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS   4 ( 6 )   605 - 611   2003年

First-principles calculations of silicon nitrides and SiAlONs 査読

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

ADVANCED CERAMICS AND COMPOSITES   247   149 - 153   2003年

Current-voltage characteristics across [0001] twist boundaries in zinc oxide bicrystals 査読

Y Sato, F Oba, T Yamamoto, Y Ikuhara, T Sakuma

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   85 ( 8 )   2142 - 2144   2002年8月

Atomic structure and solute segregation of a Sigma=3, [110]/{111} grain boundary in an yttria-stabilized cubic zirconia bicrystal 査読

N Shibata, F Oba, T Yamamoto, Y Ikuhara, T Sakuma

PHILOSOPHICAL MAGAZINE LETTERS   82 ( 7 )   393 - 400   2002年7月

Theoretical formation energy of oxygen-vacancies in oxides 査読

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

MATERIALS TRANSACTIONS   43 ( 7 )   1426 - 1429   2002年7月

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

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

MATERIALS TRANSACTIONS   43 ( 7 )   1439 - 1443   2002年7月

Current-voltage characteristics across small angle symmetric tilt boundaries in Nb-doped SrTiO3 bicrystals 査読

T Yamamoto, F Oba, Y Ikuhara, T Sakuma

MATERIALS TRANSACTIONS   43 ( 7 )   1537 - 1541   2002年7月

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

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

Physical Review B - Condensed Matter and Materials Physics   65 ( 15 )   1531031 - 1531034   2002年4月

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

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

PHYSICAL REVIEW B   65 ( 15 )   2002年4月

Hardness of cubic silicon nitride 査読

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

JOURNAL OF MATERIALS RESEARCH   17 ( 4 )   731 - 733   2002年4月

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

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

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   85 ( 1 )   97 - 100   2002年1月

Theoretical prediction of post-spinel phases of silicon nitride 査読

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

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   85 ( 1 )   7 - 10   2002年1月

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

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

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   85 ( 1 )   68 - 74   2002年1月

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

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

Physical Review B - Condensed Matter and Materials Physics   65 ( 15 )   1 - 4   2002年

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

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

Journal of Applied Physics   90 ( 7 )   3665   2001年10月

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

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

JOURNAL OF APPLIED PHYSICS   90 ( 7 )   3665 - 3665   2001年10月

Energetics of native defects in ZnO 査読

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

JOURNAL OF APPLIED PHYSICS   90 ( 2 )   824 - 828   2001年7月

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

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

APPLIED PHYSICS LETTERS   78 ( 11 )   1577 - 1579   2001年3月

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

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

ULTRAMICROSCOPY   86 ( 3-4 )   363 - 370   2001年2月

Ab initio study of symmetric tilt boundaries in ZnO

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

PHYSICAL REVIEW B   63 ( 4 )   45410 - 1-10   2001年1月

Ab initiostudy of symmetric tilt boundaries in ZnO 査読

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

Physical Review B   63 ( 4 )   2001年1月

First principles calculations of oxygen-vacancies in oxides 査読

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

PRICM 4: FORTH PACIFIC RIM INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS AND PROCESSING, VOLS I AND II   545 - 548   2001年

Interaction of Co impurities and native defects in ZnO 査読

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

PRICM 4: FORTH PACIFIC RIM INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS AND PROCESSING, VOLS I AND II   555 - 558   2001年

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

F Oba, H Adachi, Tanaka, I

JOURNAL OF MATERIALS RESEARCH   15 ( 10 )   2167 - 2175   2000年10月

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

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

PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES   80 ( 7 )   1567 - 1581   2000年7月

Electronic structure and chemical bondings of MgCr2-xO4 査読

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

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS   39 ( 2A )   513 - 516   2000年2月

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

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

PHYSICAL REVIEW B   61 ( 3 )   2180 - 2187   2000年1月

Electronic structure calculation of symmetric tilt boundaries in ZnO 査読

F Oba, Nishitani, SR, H Adachi, Tanaka, I

GRAIN BOUNDARY ENGINEERING IN CERAMICS - FROM GRAIN BOUNDARY PHENOMENA TO GRAIN BOUNDARY QUANTUM STRUCTURES   118   223 - 230   2000年

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

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

JOURNAL OF ELECTROCERAMICS   4   69 - 80   1999年12月

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

T Mizoguchi, Tanaka, I, M Yoshiya, F Oba, H Adachi

JOURNAL OF PHYSICS-CONDENSED MATTER   11 ( 29 )   5661 - 5670   1999年7月

Effect of oxidation on chemical bonding around 3d transition-metal impurities in ZnO 査読

F Oba, Tanaka, I, H Adachi

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS   38 ( 6A )   3569 - 3575   1999年6月

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

M Yodogawa, Y Ikuhara, F Oba, Tanaka, I

ELECTROCERAMICS IN JAPAN I   157-1   249 - 255   1999年

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

H Kanda, M Yoshiya, F Oba, K Ogasawara, H Adachi, Tanaka, I

PHYSICAL REVIEW B   58 ( 15 )   9693 - 9696   1998年10月

半導体の基礎物性・格子欠陥特性の高精度理論予測と物質・材料探索への展開 (特集 マテリアルズ・インフォマティクス)

大場 史康, 日沼 洋陽, 熊谷 悠

Ceramics Japan = セラミックス : bulletin of the Ceramic Society of Japan   50 ( 7 )   542 - 545   2015年7月

希土類添加cBN結晶中に形成された複合点欠陥の局所構造解析 (夢の技術特集)

石川 亮, 柴田 直哉, 大場 史康

New diamond   30 ( 1 )   13 - 15   2014年1月

プロトン伝導性BaZrO₃における欠陥会合状態の影響

桑原彰秀, FISHER Craig A. J., 森分博紀, 豊浦和明, 松永克志, 小山幸典, 大場史康, 田中功

日本セラミックス協会年会講演予稿集(CD-ROM)   2013   2013年

First principles calculations of point defects in acceptor-doped BaZrO3

Akihide Kuwabara, Kazuaki Toyoura, Yukinori Koyama, Craig, A.J. Fisher, Fumiyasu Oba, Katsuyuki Matsunaga, Hiroki Moriwake, Isao Tanaka

AMTC letters   3   120 - 121   2012年

酸化物半導体における点欠陥の電子構造と機能 : 第一原理計算によるアプローチ

大場 史康

セラミックス   46 ( 6 )   490 - 494   2011年6月

プロトン伝導型固体電解質BaZrO₃における熱平衡欠陥濃度の第一原理計算

桑原彰秀, 豊浦和明, 小山幸典, 大場史康, FISHER Craig A. J., 森分博紀, 松永克志, 松永克志, 田中功, 田中功

日本セラミックス協会秋季シンポジウム講演予稿集   24th   2011年

21aTK-2 酸化物半導体における点欠陥の原子・電子構造 : 第一原理計算によるアプローチ(21aTK 領域2,ビーム物理領域 合同シンポジウム:高エネルギー密度物質創生と光量子ビーム,領域2(プラズマ基礎・プラズマ科学・核融合プラズマ・プラズマ宇宙物理))

大場 史康

日本物理学会講演概要集   65 ( 1 )   237 - 237   2010年3月

BaZrO₃における欠陥平衡の第一原理計算

桑原彰秀, 豊浦和明, 小山幸典, 大場史康, FISHER Craig A. J., 森分博紀, 松永克志, 田中功

固体イオニクス討論会講演要旨集   36th   2010年

第一原理計算に基づくセラミックスのナノ構造解析と設計指針 : 酸化スズを例に 査読

田中 功, 世古 敦人, 東後 篤史, 大場 史康, 松永 克志

セラミックス   44 ( 9 )   679 - 683   2009年9月

第一原理熱力学によるナノ機能元素の理論計算 査読

田中 功, 世古 敦人, 弓削 是貴, 小山 幸典, 大場 史康, 松永 克志

まてりあ : 日本金属学会会報   48 ( 6 )   299 - 302   2009年6月

超高圧プロセスによる反応性溶媒を用いた機能性III族窒化物結晶の創製 査読

谷口 尚, 渡邊 賢司, 中山 敦子, 大場 史康, 田中 功

まてりあ : 日本金属学会会報   48 ( 6 )   311 - 316   2009年6月

21aYG-2 3d遷移金属酸化物におけるL_<2,3>端X線吸収スペクトルの第一原理計算(21aYG 放射光・分光・回折・光電子分光,領域5(光物性))

池野 豪一, 熊谷 悠, 大場 史康, 田中 功

日本物理学会講演概要集   63 ( 2 )   637 - 637   2008年8月

21aRB-13 第一原理計算に基づく合金の表面構造設計 : Pt合金系に対する分子吸着特性(21aRB 格子欠陥・ナノ構造(半導体・シミュレーション),領域10(誘電体,格子欠陥,X線・粒子線,フォノン物性))

弓削 是貴, 小山 幸典, 大場 史康, 田中 功, 世古 敦人

日本物理学会講演概要集   63 ( 2 )   868 - 868   2008年8月

21pTD-7 遷移金属L_<2,3>端XANESによる希薄磁性半導体中の磁性イオンの局所環境解析(格子欠陥・ナノ構造(シミュレーション・電子論),領域10,誘電体,格子欠陥,X線・粒子線,フォノン物性)

池野 豪一, 林 博之, 山本 知之, 園田 早紀, 大場 史康, 田中 功

日本物理学会講演概要集   62 ( 2 )   978 - 978   2007年8月

21pTD-6 黒鉛層間リチウムの面内拡散機構に関する第一原理計算(格子欠陥・ナノ構造(シミュレーション・電子論),領域10,誘電体,格子欠陥,X線・粒子線,フォノン物性)

豊浦 和明, 小山 幸典, 大場 史康, 田中 功

日本物理学会講演概要集   62 ( 2 )   977 - 977   2007年8月

21pTD-5 (BN)_<(1-x)>(C_2)_x平衡状態図の第一原理計算(格子欠陥・ナノ構造(シミュレーション・電子論),領域10,誘電体,格子欠陥,X線・粒子線,フォノン物性)

弓削 是貴, 世古 敦人, 小山 幸典, 大場 史康, 田中 功

日本物理学会講演概要集   62 ( 2 )   977 - 977   2007年8月

19aTG-9 クラスター展開法を用いた合金表面の偏析・原子の規則化の第一原理計算 : Cu_<75>Pt_<25>(111)表面(表面界面構造,領域9,表面・界面,結晶成長)

弓削 是貴, 世古 敦人, 桑原 彰秀, 大場 史康, 田中 功

日本物理学会講演概要集   62 ( 1 )   885 - 885   2007年2月

29pYB-2 Pt-Rh系合金(111)表面におけるPt偏析の第一原理計算(29pYB 表面界面構造,領域9(表面・界面,結晶成長))

弓削 是貴, 世古 敦人, 桑原 彰秀, 大場 史康, 田中 功

日本物理学会講演概要集   61 ( 1 )   892 - 892   2006年3月

Grain-boundary atomic structures in zirconia ceramics 査読

N. Shibata, F. Oba, T. Yamamoto, Y. Ikuhara

Ceramic Engineering and Science Proceedings   27 ( 2 )   171 - 181   2006年

Microstructure of interfaces made by epitaxial electrodeposition 査読

F. Oba, R. Liu, E.W. Bohannan, F. Ernst, J.A. Switzer

Proceedings - Electrochemical Society   PV 2003-31   101 - 110   2006年

Current-voltage characteristic and grain boundary structure in undoped and Pr and Co doped ZnO bicrystals 査読

Y Sato, F Oba, M Yodogawa, T Yamamoto, Y Ikuhara

PRICM 5: THE FIFTH PACIFIC RIM INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS AND PROCESSING, PTS 1-5   475-479   3867 - 3870   2005年

Pb(Zn_1/3Nb_2/3)ZrTiO₃系圧電材料のMPB近傍結晶相の解析

奥田和之, 森分博紀, 須田建夫, 大場史康, 田中功

日本セラミックス協会秋季シンポジウム講演予稿集   17th   2004年

局在量子構造探求のための理論計算

田中 功, 大場 史康, 森分 博紀, 足立 裕彦

セラミックス   37 ( 6 )   423 - 429   2002年6月

電子セラミックスの粒界構造と電気的特性

山本 剛久, 大場 史康, 幾原 雄一, 佐久間 健人

セラミックス   37 ( 6 )   435 - 440   2002年6月

新しいスピネル型立方晶窒化ケイ素

田中 功, 大場 史康, 吉矢 真人, 巽 一厳, CHING Wai Yim

應用物理   70 ( 12 )   1442 - 1446   2001年12月

新しいスピネル型窒化物の材料設計 (特集 ナイトライドセラミックスの新展開(1))

田中 功, 大場 史康, 吉矢 真人

マテリアルインテグレ-ション   14 ( 6 )   21 - 26   2001年6月

Atomic and electronic structure of symmetric tilt boundaries in ZnO 査読

F. Oba, S.R. Nishitani, H. Adachi, I. Tanaka, M. Kohyama, S. Tanaka

Materials Research Society Symposium - Proceedings   654   AA1.2.1-AA1.2.6   2001年

スピネル型結晶構造酸化物MgCr₂O₄中のCr空孔形成エネルギーの第一原理計算

森分博紀, 小山幸典, 田中功, 足立裕彦, 大場史康

日本セラミックス協会年会講演予稿集   2001   2001年

スピネル型結晶構造酸化物MgCr₂O₄中のCr空孔形成エネルギーの第一原理計算

森分博紀, 森分博紀, 大場史康, 小山幸典, 田中功, 足立裕彦

応用物理学関係連合講演会講演予稿集   48th   2001年

High resolution transmission electron microscopy of symmetric tilt grain boundaries in yttria stabilized cubic zirconia (日本電子顕微鏡学会第46回シンポジウム 材料のナノ・生物のナノ) -- (ポスターセッション "7th International Symposium on Advanced physical Fields(APF-7)"との合同セッション)

Shibata Naoya, Oba F., Yamamoto T.

電子顕微鏡   36   303 - 306   2001年

局在量子構造と材料機能

田中 功, 大場 史康, 足立 裕彦

まてりあ   39 ( 7 )   554 - 557   2000年

スピネル型結晶構造酸化物MgCr₂O₄中の陽イオン空孔の第一原理計算

森分博紀, 大場史康, 小山幸典, 田中功, 足立裕彦

日本セラミックス協会秋季シンポジウム講演予稿集   13th   2000年

スピネル型結晶構造酸化物MgCr₂O₄中の陽イオン空孔の第一原理計算

森分博紀, 大場史康, 小山幸典, 田中功, 足立裕彦

応用物理学会学術講演会講演予稿集   61st ( 3 )   2000年

機能性酸化物の欠陥構造の電子状態計算

田中 功, 大場 史康, 足立 裕彦

電子顕微鏡   34   324 - 324   1999年5月

First-principles calculation of optical spectra for transition-metal impurities doped in ZnO and ZnS 査読

K Ogasawara, T Ishii, F Oba, Tanaka, I, H Adachi

LUMINESCENT MATERIALS   560   341 - 346   1999年

第41回応用物理学会解説論文賞

2019年9月  

大場史康, 熊谷悠

第35回井上学術賞

2019年2月  

大場史康

手島精一記念若手研究賞

2018年2月  

大場 史康

第75回日本金属学会功績賞

2017年3月  

大場 史康

日本金属学会2016年（第159回）秋期講演大会優秀ポスター賞

2016年9月  

西谷宣彦, 原田航, 熊谷悠, 赤松寛文, 大場史康

STAM Best Paper Prize 2013

2013年12月  

F. Oba, M. Choi, A. Togo, I. Tanaka

第9回日本金属学会村上奨励賞

2012年9月  

大場 史康

第31回本多記念研究奨励賞

2010年5月  

大場 史康

第14回日本金属学会奨励賞 [物性部門]

2004年9月  

大場 史康

第29回日本セラミックス協会学術写真優秀賞

2004年3月  

佐藤幸生, 淀川正忠, 山本剛久, 大場史康, 幾原雄一

First Place in the TEM Category, American Ceramic Society Ceramographic Competition

2003年4月  

F. Oba, H. Ohta, H. Hosono, T. Yamamoto, Y. Ikuhara

第27回日本セラミックス協会学術写真優秀賞(2)

2002年3月  

山本剛久, 大場史康, 幾原雄一

第27回日本セラミックス協会学術写真優秀賞(1)

2002年3月  

大場史康, 太田裕道, 山本剛久, 幾原雄一

第一原理に基づく革新的半導体材料の予測手法の開発

研究課題/領域番号：15H05541  2015年4月 - 2018年3月

日本学術振興会  科学研究費助成事業  若手研究(A)

熊谷 悠, 大場 史康, 角田 直樹