Tokyo Institute of Technology   Materials and Structures Laboratory   Professor

2015.4 - 2016.3

Tokyo Institute of Technology   Materials Research Center for Element Strategy

2013.2 - 2015.3

Kyoto University   Graduate School of Engineering, Deprtment of Materical Science and Engineering   Associate Professor

2009.8 - 2015.3

Kyoto University   Graduate School of Engineering, Deprtment of Materical Science and Engineering

2004.2 - 2009.7

The University of Tokyo   The Faculty of Engineering

2001.4 - 2004.1

The University of Tokyo   The Faculty of Engineering

2000.10 - 2001.3

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   2024.7

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   2024.3

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 )   2023.10

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

Tianwei Wang, Fumiyasu Oba

Physical Review Materials   2023.8

Computational design and exploration of nitride and oxide semiconductors

Fumiyasu Oba

Journal of the Ceramic Society of Japan   131 ( 8 )   392 - 397   2023.8

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   2023.6

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   2023.4

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   2023.2

Single‐atom microscopy in wide‐bandgap nitrides

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

International Journal of Applied Ceramic Technology   2023.1

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   2022.12

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   2022.11

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   2022.9

Switchable Electric Dipole from Polaron Localization in Dielectric Crystals

Kazuki Morita, Yu Kumagai, Fumiyasu Oba, Aron Walsh

Physical Review Letters   129 ( 1 )   2022.6

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 )   2022.4

Recommendation of interstitial hydrogen positions in metal oxides

Naoki Tsunoda, Yu Kumagai, Fumiyasu Oba

Computational Materials Science   203   111068 - 111068   2022.2

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

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

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

Yu Kumagai, Naoki Tsunoda, Akira Takahashi, Fumiyasu Oba

Physical Review Materials   2021.12

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   2021.10

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 )   2021.10

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

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

Chemistry of Materials   33 ( 8 )   2864 - 2870   2021.4

Coexisting Mechanisms for the Ferroelectric Phase Transition in Li2SrNb2O7 Reviewed

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

Chemistry of Materials   33 ( 4 )   1257 - 1264   2021.2

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

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

Physical Review Materials   4 ( 10 )   104419   2020.10

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

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

Physical Review Materials   2020.10

Data-Mining Element Charges in Inorganic Materials Reviewed

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

The Journal of Physical Chemistry Letters   8264 - 8267   2020.10

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

Yuichiro Kuroiwa, Yu-ichiro Matsushita, Fumiyasu Oba

AIP Advances   2020.10

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

Ha-Jun Sung, Yasuhide Mochizuki, Fumiyasu Oba

Physical Review Materials   4 ( 4 )   044606   2020.4

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

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

Physical Review Materials   2020.4

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

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

Physical Review B   101 ( 12 )   2020.3

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

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

Chemistry of Materials   2020.1

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

Tomoya Gake, Yu Kumagai, Christoph Freysoldt, Fumiyasu Oba

Physical Review B   2020.1

Stabilization of small polarons in BaTiO3 by local distortions Reviewed

Naoki Tsunoda, Yu Kumagai, Fumiyasu Oba

Physical Review Materials   3 ( 11 )   2019.11

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

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

Inorganic Chemistry   2019.11

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

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

Journal of the American Chemical Society   141 ( 46 )   18642   2019.11

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

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

Applied Physics Letters   115 ( 11 )   112102   2019.9

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

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

Applied Physics Letters   115 ( 9 )   2019.8

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

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

Applied Physics Express   12 ( 9 )   2019.8

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

Hinuma Yoyo, Gake Tomoya, Oba Fumiyasu

Physical Review Materials   3 ( 8 )   2019.8

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

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   2019.5

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

Gake Tomoya, Kumagai Yu, Oba Fumiyasu

Physical Review Materials   3 ( 4 )   2019.4

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

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

Journal of Applied Physics   125 ( 12 )   2019.3

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

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   2019.3

One-dimensionally extended oxygen vacancy states in perovskite oxides Reviewed

Tsunoda Naoki, Kumagai Yu, Araki Masahiko, Oba Fumiyasu

Physical Review B   99 ( 6 )   2019.2

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

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

Journal of the American Chemical Society   141 ( 2 )   890 - 900   2019.1

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

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

ADVANCED ENERGY MATERIALS   8 ( 27 )   2018.9

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

Fumiyasu Oba, Yu Kumagai

Applied Physics Express   11 ( 6 )   060101   2018.6

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

Yu Kumagai, Naoki Tsunoda, Fumiyasu Oba

Physical Review Applied   9 ( 3 )   034019   2018.3

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

Hinuma Yoyo, Kumagai Yu, Tanaka Isao, Oba Fumiyasu

Physical Review Materials   2 ( 12 )   2018

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

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

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

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

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

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

Tsunoda Naoki, Kumagai Yu, Takahashi Akira, Oba Fumiyasu

Physical Review Applied   10 ( 1 )   014015   2018

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

Mochizuki Yasuhide, Akamatsu Hirofumi, Kumagai Yu, Oba Fumiyasu

Physical Review Materials   2 ( 12 )   2018

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

Mochizuki Yasuhide, Kumagai Yu, Akamatsu Hirofumi, Oba Fumiyasu

Physical Review Materials   2 ( 12 )   2018

Complex Structural Behavior of BiMn7O12 Quadruple Perovskite Reviewed

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   2017.10

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

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

PHYSICAL REVIEW B   96 ( 9 )   094102   2017.9

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

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   2017.9

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

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

PHYSICAL REVIEW APPLIED   8 ( 1 )   014015   2017.7

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

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

JOURNAL OF MATERIALS CHEMISTRY A   5 ( 19 )   9132 - 9140   2017.5

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

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

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   19 ( 19 )   12452 - 12465   2017.5

Chemical and Lattice Stability of the Tin Sulfides Reviewed

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

JOURNAL OF PHYSICAL CHEMISTRY C   121 ( 12 )   6446 - 6454   2017.3

Theory of ionization potentials of nonmetallic solids Reviewed

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

PHYSICAL REVIEW B   95 ( 12 )   125309   2017.3

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

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

APL MATERIALS   5 ( 3 )   036101   2017.3

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

Yoyo Hinuma, Yu Kumagai, Isao Tanaka, Fumiyasu Oba

PHYSICAL REVIEW B   95 ( 7 )   075302   2017.2

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

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

PHYSICAL REVIEW B   95 ( 5 )   054432   2017.2

Band structure diagram paths based on crystallography Reviewed

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

COMPUTATIONAL MATERIALS SCIENCE   128   140 - 184   2017.2

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

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

ADVANCED SCIENCE   4 ( 1 )   1600246   2017.1

Prediction of Fundamental Properties of Semiconductors and Materials Exploration Using First-Principles Calculations

Oba Fumiyasu, Hinuma Yoyo, Kumagai Yu

Materia Japan   56 ( 9 )   554 - 559   2017

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

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   2016.8

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

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

PHYSICAL REVIEW APPLIED   6 ( 1 )   014009   2016.7

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

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   2016.6

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

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

JOURNAL OF PHYSICAL CHEMISTRY C   120 ( 18 )   9604 - 9611   2016.5

Categorization of surface polarity from a crystallographic approach Reviewed

Yoyo Hinuma, Yu Kumagai, Fumiyasu Oba, Isao Tanaka

COMPUTATIONAL MATERIALS SCIENCE   113   221 - 230   2016.2

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

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

INORGANIC CHEMISTRY   55 ( 4 )   1940 - 1945   2016.2

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

Fumiyasu Oba

FRONTIERS IN MATERIALS SCIENCE (FMS2015)   1763   2016

Complex Point Defect Structure in Cubic Boron Nitride

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

Materia Japan   55 ( 12 )   609 - 609   2016

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

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

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

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

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   2015.8

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

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

JOURNAL OF CRYSTAL GROWTH   416   126 - 129   2015.4

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

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

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

Yoyo Hinuma, Andreas Grueneis, Georg Kresse, Fumiyasu Oba

PHYSICAL REVIEW B   90 ( 15 )   155405   2014.10

First-principles study of point defects in chalcopyrite ZnSnP2 Reviewed

Yu Kumagai, Minseok Choi, Yoshitaro Nose, Fumiyasu Oba

PHYSICAL REVIEW B   90 ( 12 )   125202   2014.9

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

Yu Kumagai, Fumiyasu Oba

PHYSICAL REVIEW B   89 ( 19 )   195205   2014.5

Ionization Potentials of Solids: The Importance of Vertex Corrections Reviewed

Andreas Grueneis, Georg Kresse, Yoyo Hinuma, Fumiyasu Oba

PHYSICAL REVIEW LETTERS   112 ( 9 )   096401   2014.3

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

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   2014.1

Local environment of silicon in cubic boron nitride Reviewed

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

JOURNAL OF APPLIED PHYSICS   114 ( 23 )   233502   2013.12

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

Yoyo Hinuma, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   88 ( 7 )   075319   2013.8

Electronic Structure and Functions of Point Defects in Oxide and Nitride Semiconductors : Renewed Understanding from First-Principles Calculations

OBA Fumiyasu

Bulletin of the Japan Institute of Metals   52 ( 7 )   350 - 356   2013.7

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

Yoyo Hinuma, Fumiyasu Oba, Yu Kumagai, Isao Tanaka

PHYSICAL REVIEW B   88 ( 3 )   2013.7

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

Yoyo Hinuma, Fumiyasu Oba, Yoshitaro Nose, Isao Tanaka

JOURNAL OF APPLIED PHYSICS   114 ( 4 )   043718   2013.7

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

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

APPLIED PHYSICS EXPRESS   6 ( 6 )   061201   2013.6

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

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

ADVANCED FUNCTIONAL MATERIALS   23 ( 15 )   1864 - 1872   2013.4

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

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

PHYSICAL REVIEW LETTERS   110 ( 6 )   065504   2013.2

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

Minseok Choi, Fumiyasu Oba, Yu Kumagai, Isao Tanaka

ADVANCED MATERIALS   25 ( 1 )   86 - 90   2013.1

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

Yoyo Hinuma, Fumiyasu Oba, Yu Kumagai, Isao Tanaka

PHYSICAL REVIEW B   86 ( 24 )   2012.12

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

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

APPLIED PHYSICS LETTERS   101 ( 24 )   2012.12

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

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   2012.4

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

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

PHYSICAL REVIEW B   85 ( 3 )   2012.1

Calculation of Phase Stability from First Principles Thermodynamics Reviewed

SEKO Atsuto, OBA Fumiyasu, KUMAGAI Yu, TANAKA Isao

Ceramics Japan : Bulletin of the Ceramic Society of Japan   47 ( 7 )   494 - 499   2012.1

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) Reviewed

田中 功, 世古 敦人, 大場 史康

工業材料   60 ( 4 )   23 - 26   2012.1

Ground-state search in multicomponent magnetic systems Reviewed

Yu Kumagai, Atsuto Seko, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   85 ( 1 )   2012.1

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

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

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

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

Shota Katayama, Hiroyuki Hayashi, Fumiyasu Oba, Isao Tanaka

JAPANESE JOURNAL OF APPLIED PHYSICS   50 ( 7 )   2011.7

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

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

PHYSICAL REVIEW B   83 ( 21 )   2011.6

Point defects in ZnO: an approach from first principles Reviewed

Fumiyasu Oba, Minseok Choi, Atsushi Togo, Isao Tanaka

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS   12 ( 3 )   2011.6

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

Minseok Choi, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   83 ( 21 )   2011.6

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

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

JOURNAL OF MATERIALS SCIENCE   46 ( 12 )   4169 - 4175   2011.6

Electronic and structural properties of the oxygen vacancy in BaTiO3 Reviewed

Minseok Choi, Fumiyasu Oba, Isao Tanaka

APPLIED PHYSICS LETTERS   98 ( 17 )   2011.4

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

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

JOURNAL OF MATERIALS RESEARCH   26 ( 4 )   578 - 583   2011.2

Native defects in oxide semiconductors: a density functional approach Reviewed

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

JOURNAL OF PHYSICS-CONDENSED MATTER   22 ( 38 )   2010.9

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

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

JOURNAL OF PHYSICS-CONDENSED MATTER   22 ( 38 )   2010.9

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

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 )   2010.4

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

Atsuto Seko, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   81 ( 5 )   2010.2

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

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

PHYSICAL REVIEW B   81 ( 7 )   2010.2

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

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

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

Role of Ti Antisitelike Defects in SrTiO3 Reviewed

Minseok Choi, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW LETTERS   103 ( 18 )   2009.10

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

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

PHYSICAL REVIEW B   80 ( 8 )   2009.8

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

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

PHYSICAL REVIEW B   80 ( 2 )   2009.7

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

Minseok Choi, Katsuyuki Matsunaga, Fumiyasu Oba, Isao Tanakat

JOURNAL OF PHYSICAL CHEMISTRY C   113 ( 9 )   3869 - 3873   2009.3

First principles calculations of advanced nitrides, oxides and alloys Reviewed

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

SIAIONS AND NON-OXIDES   403   73 - +   2009

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

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

PHYSICAL REVIEW B   78 ( 21 )   2008.12

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

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

MATERIALS TRANSACTIONS   49 ( 11 )   2484 - 2490   2008.11

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

Atsushi Togo, Fumiyasu Oba, Isao Tanaka

Physical Review B - Condensed Matter and Materials Physics   78 ( 13 )   2008.10

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

Atsushi Togo, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   78 ( 13 )   2008.10

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

Minseok Choi, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   78 ( 1 )   2008.7

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

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

PHYSICAL REVIEW B   77 ( 24 )   2008.6

Transition pathway of C O2 crystals under high pressures Reviewed

Atsushi Togo, Fumiyasu Oba, Isao Tanaka

Physical Review B - Condensed Matter and Materials Physics   77 ( 18 )   2008.5

Transition pathway of CO2 crystals under high pressures Reviewed

Atsushi Togo, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW B   77 ( 18 )   2008.5

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 Reviewed

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

PHYSICAL REVIEW B   77 ( 15 )   2008.4

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

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

PHYSICAL REVIEW B   77 ( 9 )   2008.3

First principles calculations for modern ceramic science and engineering Reviewed

Isao Tanaka, Fumiyasu Oba

JOURNAL OF PHYSICS-CONDENSED MATTER   20 ( 6 )   2008.2

Structure and stability of a homologous series of tin oxides Reviewed

Atsuto Seko, Atsushi Togo, Fumiyasu Oba, Isao Tanaka

PHYSICAL REVIEW LETTERS   100 ( 4 )   2008.2

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

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

JOURNAL OF APPLIED PHYSICS   103 ( 1 )   2008.1

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

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

JOURNAL OF SOLID STATE CHEMISTRY   181 ( 1 )   137 - 142   2008.1

Structures and energetics of Ga2O3 polymorphs Reviewed

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

JOURNAL OF PHYSICS-CONDENSED MATTER   19 ( 34 )   2007.8

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

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

PHYSICAL REVIEW B   76 ( 4 )   2007.7

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

Rong Huang, Hiroyuki Hayashi, Fumiyasu Oba, Isao Tanaka

JOURNAL OF APPLIED PHYSICS   101 ( 6 )   2007.3

Awaking of ferromagnetism in GaMnN through control of Mn valence Reviewed

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 )   2007.1

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

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

JOURNAL OF PHYSICS-CONDENSED MATTER   19 ( 4 )   2007.1

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

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

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

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

ECS Transactions   11 ( 1 )   749 - 758   2007

GRAIN-BOUNDARY ATOMIC STRUCTURES IN ZIRCONIA CERAMICS Reviewed

Naoya Shibata, Fumiyasu Oba, Takahisa Yamamoto, Yuichi Ikuhara

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

Structure Units of *9 Zirconia Grain Boundary

SHIBATA Naoya, IKUHARA Yuichi, OBA Fumiyasu, YAMAMOTO Takahisa

Materia Japan   45 ( 12 )   842 - 842   2006.12

First-principles calculations of native defects in tin monoxide Reviewed

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

PHYSICAL REVIEW B   74 ( 19 )   2006.11

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

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

PHYSICAL REVIEW B   74 ( 17 )   2006.11

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

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

APPLIED PHYSICS LETTERS   89 ( 18 )   2006.10

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

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   2006.5

Coexistence of Mn2+ and Mn3+ in ferromagnetic GaMnN Reviewed

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   2006.5

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

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

PHYSICAL REVIEW B   73 ( 18 )   2006.5

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

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

INTERNATIONAL JOURNAL OF MATERIALS RESEARCH   97 ( 5 )   597 - 606   2006.5

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

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

ACTA MATERIALIA   54 ( 6 )   1597 - 1606   2006.4

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

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

JOURNAL OF PHYSICAL CHEMISTRY B   110 ( 16 )   8258 - 8262   2006.4

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

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

PHYSICAL REVIEW B   73 ( 9 )   2006.3

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

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

PHYSICAL REVIEW B   73 ( 6 )   2006.2

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

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

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

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

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

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

Grain Boundary Dependence of Dopant Segregation and Electrical Property in ZnO

SATO Yukio, OBA Fumiyasu, YODOGAWA Masatada, YAMAMOTO Takahisa, IKUHARA Yuichi

Materia Japan   44 ( 12 )   965 - 965   2005.12

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

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

Defect and Diffusion Forum   242-244   1 - 8   2005.9

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

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

PHYSICAL REVIEW B   72 ( 6 )   2005.8

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

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

PHYSICAL REVIEW B   72 ( 2 )   2005.7

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 Reviewed

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

JOURNAL OF MATERIALS SCIENCE   40 ( 12 )   3059 - 3066   2005.6

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

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

JOURNAL OF MATERIALS SCIENCE   40 ( 12 )   3067 - 3074   2005.6

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

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

APPLIED PHYSICS LETTERS   86 ( 12 )   2005.3

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

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

CHEMISTRY OF MATERIALS   17 ( 4 )   725 - 729   2005.2

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

N Shibata, F Oba, T Yamamoto, Y Ikuhara

ZEITSCHRIFT FUR METALLKUNDE   96 ( 2 )   177 - 185   2005.2

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

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

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   88 ( 2 )   253 - 270   2005.2

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

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

PHYSICAL REVIEW LETTERS   94 ( 3 )   2005.1

Structure of Oxide Interfaces Viewed at An Atomistic and Electronic Level

Oba Fumiyasu

Bulletin of the Japan Institute of Metals   44 ( 8 )   687 - 690   2005

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

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

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

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

Atomic Structure of Tilt Grain Boundaries in ZnO

OBA Fumiyasu, OHTA Hiromichi, HOSONO Hideo, SATO Yukio, YAMAMOTO Takahisa, IKUHARA Yuichi

Materia Japan   43 ( 12 )   985 - 985   2004.12

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

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

PHYSICAL REVIEW B   70 ( 12 )   2004.9

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

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

Physical Review B - Condensed Matter and Materials Physics   70 ( 12 )   1 - 125415   2004.9

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

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   2004.9

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

N Shibata, F Oba, T Yamamoto, Y Ikuhara

PHILOSOPHICAL MAGAZINE   84 ( 23 )   2381 - 2415   2004.8

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

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

APPLIED PHYSICS LETTERS   84 ( 26 )   5311 - 5313   2004.6

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

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

JOURNAL OF APPLIED PHYSICS   95 ( 5 )   2309 - 2318   2004.3

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

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

JOURNAL OF APPLIED PHYSICS   95 ( 3 )   1258 - 1264   2004.2

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

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

CHEMISTRY OF MATERIALS   15 ( 26 )   4882 - 4885   2003.12

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

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   2003.10

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

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

JOURNAL OF MATERIALS SCIENCE LETTERS   22 ( 17 )   1201 - 1204   2003.9

Epitaxial electrodeposition of Cu2O films onto InP(001) Reviewed

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

APPLIED PHYSICS LETTERS   83 ( 10 )   1944 - 1946   2003.9

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

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

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   86 ( 9 )   1616 - 1618   2003.9

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

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

Philosophical Magazine   83 ( 19 )   2221 - 2246   2003.7

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

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

PHILOSOPHICAL MAGAZINE   83 ( 19 )   2221 - 2246   2003.7

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

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   2003.6

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

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

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY   91 ( 2 )   208 - 210   2003.1

Electronic states associated with bond disorder at ZnO grain boundaries Reviewed

F Oba, Tanaka, I, H Adachi

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

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

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

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

First-principles calculations of silicon nitrides and SiAlONs Reviewed

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

ADVANCED CERAMICS AND COMPOSITES   247   149 - 153   2003

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

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

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   85 ( 8 )   2142 - 2144   2002.8

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

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

PHILOSOPHICAL MAGAZINE LETTERS   82 ( 7 )   393 - 400   2002.7

Theoretical formation energy of oxygen-vacancies in oxides Reviewed

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

MATERIALS TRANSACTIONS   43 ( 7 )   1426 - 1429   2002.7

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

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

MATERIALS TRANSACTIONS   43 ( 7 )   1439 - 1443   2002.7

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

T Yamamoto, F Oba, Y Ikuhara, T Sakuma

MATERIALS TRANSACTIONS   43 ( 7 )   1537 - 1541   2002.7

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   2002.4

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

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

PHYSICAL REVIEW B   65 ( 15 )   2002.4

Hardness of cubic silicon nitride Reviewed

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

JOURNAL OF MATERIALS RESEARCH   17 ( 4 )   731 - 733   2002.4

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

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

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   85 ( 1 )   97 - 100   2002.1

Theoretical prediction of post-spinel phases of silicon nitride Reviewed

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

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   85 ( 1 )   7 - 10   2002.1

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

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

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   85 ( 1 )   68 - 74   2002.1

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

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

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

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

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

Journal of Applied Physics   90 ( 7 )   3665   2001.10

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

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

JOURNAL OF APPLIED PHYSICS   90 ( 7 )   3665 - 3665   2001.10

Energetics of native defects in ZnO Reviewed

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

JOURNAL OF APPLIED PHYSICS   90 ( 2 )   824 - 828   2001.7

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

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

APPLIED PHYSICS LETTERS   78 ( 11 )   1577 - 1579   2001.3

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

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

ULTRAMICROSCOPY   86 ( 3-4 )   363 - 370   2001.2

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   2001.1

Ab initiostudy of symmetric tilt boundaries in ZnO Reviewed

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

Physical Review B   63 ( 4 )   2001.1

First principles calculations of oxygen-vacancies in oxides Reviewed

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

Interaction of Co impurities and native defects in ZnO Reviewed

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

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

F Oba, H Adachi, Tanaka, I

JOURNAL OF MATERIALS RESEARCH   15 ( 10 )   2167 - 2175   2000.10

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

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   2000.7

Electronic structure and chemical bondings of MgCr2-xO4 Reviewed

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   2000.2

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

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

PHYSICAL REVIEW B   61 ( 3 )   2180 - 2187   2000.1

Electronic structure calculation of symmetric tilt boundaries in ZnO Reviewed

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

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

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

JOURNAL OF ELECTROCERAMICS   4   69 - 80   1999.12

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

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

JOURNAL OF PHYSICS-CONDENSED MATTER   11 ( 29 )   5661 - 5670   1999.7

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

F Oba, Tanaka, I, H Adachi

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS   38 ( 6A )   3569 - 3575   1999.6

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

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

ELECTROCERAMICS IN JAPAN I   157-1   249 - 255   1999

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

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

PHYSICAL REVIEW B   58 ( 15 )   9693 - 9696   1998.10

Accurate Theoretical Predictions of Fundamental and Defect Properties in Semiconductors towards Materials Screening

50 ( 7 )   542 - 545   2015.7

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   2014.1

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

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

Electronic Structure and Functions of Point Defects in Oxide Semiconductors : A First-Principles Approach

OBA Fumiyasu

Ceramics Japan   46 ( 6 )   490 - 494   2011.6

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

21aTK-2 Atomic and electronic structure of point defects in oxide semiconductors : A first-principles approach

Oba Fumiyasu

Meeting abstracts of the Physical Society of Japan   65 ( 1 )   237 - 237   2010.3

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

Nano-Structure Analysis and Materials Design of Ceramics through First Principles Calculations : A Study on Tin Oxides Reviewed

TANAKA Isao, SEKO Atsuto, TOGO Atsushi, OBA Fumiyasu, MATSUNAGA Katsuyuki

Ceramics Japan   44 ( 9 )   679 - 683   2009.9

First Principles Thermodynamics Calculations of Atomic Scale Modifications Reviewed

TANAKA Isao, SEKO Atsuto, YUGE Koretaka, KOYAMA Yukinori, OBA Fumiyasu, MATSUNAGA Katsuyuki

Bulletin of the Japan Institute of Metals   48 ( 6 )   299 - 302   2009.6

High Pressure Synthesis of Functionalized Group III Nitride Crystals by Using Reaction Solvent Reviewed

TANIGUCHI Takashi, WATANABE Kenji, NAKAYAMA Atsuko, OBA Fumiyasu, TANAKA Isao

Bulletin of the Japan Institute of Metals   48 ( 6 )   311 - 316   2009.6

21aYG-2 First-principles calculations for L_<2,3> x-ray absorption spectra of 3d transition metal oxides

Ikeno H., Kumagai Y., Oba F., Tanaka I.

Meeting abstracts of the Physical Society of Japan   63 ( 2 )   637 - 637   2008.8

21aRB-13 Ab initio design on alloy surfaces : Adsorption properties of Pt-based alloy

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

Meeting abstracts of the Physical Society of Japan   63 ( 2 )   868 - 868   2008.8

21pTD-7 Local environment of magnetic ions in diluted magnetic semiconductors by transition metal L_<2,3>-edge XANES

Ikeno H., Hayashi H., Yamamoto T., Sonoda S., Oba F., Tanaka I.

Meeting abstracts of the Physical Society of Japan   62 ( 2 )   978 - 978   2007.8

21pTD-6 In-plane diffusion in a lithium-graphite intercalation compounds from first-principles calculations

Toyoura K., Koyama Y., Oba F., Tanaka I.

Meeting abstracts of the Physical Society of Japan   62 ( 2 )   977 - 977   2007.8

21pTD-5 First-principles study on phase diagram of cubic (BN)_<(1-x)>(C_2)_x ternary alloy

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

Meeting abstracts of the Physical Society of Japan   62 ( 2 )   977 - 977   2007.8

19aTG-9 Order and segregation at Cu_<75>Pt_<25>(111) surface : a cluster expansion and first-principles study

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

Meeting abstracts of the Physical Society of Japan   62 ( 1 )   885 - 885   2007.2

29pYB-2 First-principles study of Pt segregation to (111) surface in PtRh alloys

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

Meeting abstracts of the Physical Society of Japan   61 ( 1 )   892 - 892   2006.3

Grain-boundary atomic structures in zirconia ceramics Reviewed

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

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

Microstructure of interfaces made by epitaxial electrodeposition Reviewed

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

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

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

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

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

First Principles Calculations of Localized Quantum Structures

TANAKA Isao, OBA Fumiyasu, MORIWAKE Hiroki, ADACHI Hirohiko

Ceramics Japan   37 ( 6 )   423 - 429   2002.6

Grain Boundary Structure and Electrical Properties in Electroceramics

YAMAMOTO Takahisa, OBA Fumiyasu, IKUHARA Yuichi, SAKUMA Taketo

Ceramics Japan   37 ( 6 )   435 - 440   2002.6

Cubic silicon nitride with spinel structure : A novel material.

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

70 ( 12 )   1442 - 1446   2001.12

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   2001.6

Atomic and electronic structure of symmetric tilt boundaries in ZnO Reviewed

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

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

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

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

Localized Quantum Structures-A Case in ZnO Ceramics

TANAKA Isao, OBA Fumiyasu, ADACHI Hirohiko

Bulletin of the Japan Institute of Metals   39 ( 7 )   554 - 557   2000

スピネル型結晶構造酸化物MgCr₂O₄中の陽イオン空孔の第一原理計算

森分博紀, 大場史康, 小山幸典, 田中功, 足立裕彦

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

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

First principles calculations of localized imperfections in functional oxides

TANAKA Isao, OBA Fumiyasu, ADACHI Hirohiko

34   324 - 324   1999.5

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

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

LUMINESCENT MATERIALS   560   341 - 346   1999

第41回応用物理学会解説論文賞

2019.9  

大場史康, 熊谷悠

第35回井上学術賞

2019.2  

大場史康

手島精一記念若手研究賞

2018.2  

大場 史康

第75回日本金属学会功績賞

2017.3  

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

2016.9  

西谷宣彦, 原田航, 熊谷悠, 赤松寛文, 大場史康

STAM Best Paper Prize 2013

2013.12  

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

第9回日本金属学会村上奨励賞

2012.9  

大場 史康

第31回本多記念研究奨励賞

2010.5  

大場 史康

第14回日本金属学会奨励賞 [物性部門]

2004.9  

大場 史康

第29回日本セラミックス協会学術写真優秀賞

2004.3  

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

2003.4  

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)

2002.3  

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)

2002.3  

大場史康, 太田裕道, 山本剛久, 幾原雄一

Development of computational techniques for discovering novel semiconductors from first principles

Grant number：15H05541  2015.4 - 2018.3

Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Young Scientists (A)

Kumagai Yu, OBA Fumiyasu, TSUNODA Naoki

Development of a computational approach for accurate prediction of material properties and its application to the search for novel photovoltaic materials

Grant number：15H04125  2015.4 - 2017.3

Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research  Grant-in-Aid for Scientific Research (B)