Fumiyasu Oba

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Co-authors

Isao TanakaKyoto UniversityVerified email at kyoto-u.ac.jp
Yu KumagaiAssociate Professor, Tokyo Institute of TechnologyVerified email at m.titech.ac.jp
Ikuhara YUniverfsity of TokyoVerified email at sigma.t.u-tokyo.ac.jp
Atsushi TogoNational Institute for Materials ScienceVerified email at nims.go.jp
Akihide KuwabaraJapan Fine Ceramics CenterVerified email at jfcc.or.jp
Atsuto SekoKyoto UniversityVerified email at cms.mtl.kyoto-u.ac.jp
Minseok ChoiInha UniversityVerified email at inha.ac.kr
Frank ErnstProfessor of Materials Science, Case Western Reserve UniversityVerified email at case.edu
Teruyasu MizoguchiInstitute of Industrial Science, The University of TokyoVerified email at iis.u-tokyo.ac.jp
Lee A. BurtonAssociate Professor, Shanghai UniversityVerified email at shu.edu.cn
Georg KresseUniversity of Vienna, Faculty of Physics, Professor for Computational Quantum MechanicsVerified email at univie.ac.at
Naoya ShibataThe University of TokyoVerified email at sigma.t.u-tokyo.ac.jp
Aron WalshDepartment of Materials, Imperial College London; Yonsei UniversityVerified email at imperial.ac.uk
Jay A. SwitzerDonald L. Castleman Professor of Chemistry, Missouri University of Science and TechnologyVerified email at mst.edu
Hirofumi AkamatsuKyushu UniversityVerified email at cstf.kyushu-u.ac.jp
Tetsu IchitsuboProfessor, Tohoku University (東北大学教授)Verified email at imr.tohoku.ac.jp
Tomoyuki YamamotoProfessor, Waseda UniversityVerified email at waseda.jp
Joachim PaierResearcher, Humboldt University BerlinVerified email at chemie.hu-berlin.de
Andreas GrüneisVienna University of TechnologyVerified email at tuwien.ac.at
T.TaniguchiNational Institute for Materials ScienceVerified email at nims.go.jp

Fumiyasu Oba

Laboratory for Materials and Structures, Tokyo Institute of Technology

Verified email at msl.titech.ac.jp

Computational materials science first principles calculations semiconductors defects


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First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2-type SiO 2 at high pressures A Togo, F Oba, I Tanaka Physical Review B 78 (13), 134106, 2008	3619	2008
Defect energetics in ZnO: A hybrid Hartree-Fock density functional study F Oba, A Togo, I Tanaka, J Paier, G Kresse Physical Review B 77 (24), 245202, 2008	1325	2008
Energetics of native defects in ZnO F Oba, SR Nishitani, S Isotani, H Adachi, I Tanaka Journal of Applied Physics 90 (2), 824-828, 2001	462	2001
Point defects in ZnO: an approach from first principles F Oba, M Choi, A Togo, I Tanaka Science and Technology of Advanced Materials 12 (3), 034302, 2011	286	2011
First-principles calculations of native defects in tin monoxide A Togo, F Oba, I Tanaka, K Tatsumi Physical Review B 74 (19), 195128, 2006	259	2006
Electrostatics-based finite-size corrections for first-principles point defect calculations Y Kumagai, F Oba Physical Review B 89 (19), 195205, 2014	241	2014
Debye temperature and stiffness of carbon and boron nitride polymorphs from first principles calculations T Tohei, A Kuwabara, F Oba, I Tanaka Physical Review B 73 (6), 064304, 2006	228	2006
Band structure diagram paths based on crystallography Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka Computational Materials Science 128, 140-184, 2017	205	2017
Structures and energetics of Ga2O3 polymorphs S Yoshioka, H Hayashi, A Kuwabara, F Oba, K Matsunaga, I Tanaka Journal of Physics: Condensed Matter 19 (34), 346211, 2007	205	2007
Band alignment of semiconductors from density-functional theory and many-body perturbation theory Y Hinuma, A Grüneis, G Kresse, F Oba Physical Review B 90 (15), 155405, 2014	201	2014
Carbon supersaturation due to paraequilibrium carburization: Stainless steels with greatly improved mechanical properties GM Michal, F Ernst, H Kahn, Y Cao, F Oba, N Agarwal, AH Heuer Acta Materialia 54 (6), 1597-1606, 2006	197	2006
First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound K Toyoura, Y Koyama, A Kuwabara, F Oba, I Tanaka Physical Review B 78 (21), 214303, 2008	165	2008
Ionization potentials of solids: the importance of vertex corrections A Grüneis, G Kresse, Y Hinuma, F Oba Physical review letters 112 (9), 096401, 2014	159	2014
Shape control in epitaxial electrodeposition: Cu2O nanocubes on InP (001) R Liu, F Oba, EW Bohannan, F Ernst, JA Switzer Chemistry of materials 15 (26), 4882-4885, 2003	149	2003
Structure and stability of a homologous series of tin oxides A Seko, A Togo, F Oba, I Tanaka Physical review letters 100 (4), 045702, 2008	133	2008
Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis Y Hinuma, T Hatakeyama, Y Kumagai, LA Burton, H Sato, Y Muraba, ... Nature communications 7 (1), 1-10, 2016	130	2016
Core-hole effects on theoretical electron-energy-loss near-edge structure and near-edge x-ray absorption fine structure of MgO T Mizoguchi, I Tanaka, M Yoshiya, F Oba, K Ogasawara, H Adachi Physical Review B 61 (3), 2180, 2000	114	2000
Pressure-induced phase transition in ZnO and Zn O− Mg O pseudobinary system: A first-principles lattice dynamics study A Seko, F Oba, A Kuwabara, I Tanaka Physical Review B 72 (2), 024107, 2005	106	2005
Theoretical formation energy of oxygen-vacancies in oxides I Tanaka, F Oba, K Tatsumi, M Kunisu, M Nakano, H Adachi Materials Transactions 43 (7), 1426-1429, 2002	100	2002
Room temperature ferromagnetism in Mn-doped with spinel structure H Hayashi, R Huang, H Ikeno, F Oba, S Yoshioka, I Tanaka, S Sonoda Applied physics letters 89 (18), 181903, 2006	96	2006

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