Fumiyasu Oba

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Isao TanakaKyoto UniversityEmail verificata su kyoto-u.ac.jp
Yu KumagaiProfessor, Institute for Materials Research, Tohoku UniversityEmail verificata su tohoku.ac.jp
Atsushi TogoNational Institute for Materials ScienceEmail verificata su nims.go.jp
Ikuhara YUniverfsity of TokyoEmail verificata su sigma.t.u-tokyo.ac.jp
Akihide KuwabaraJapan Fine Ceramics CenterEmail verificata su jfcc.or.jp
Atsuto SekoKyoto UniversityEmail verificata su cms.mtl.kyoto-u.ac.jp
Minseok ChoiInha UniversityEmail verificata su inha.ac.kr
Lee A. BurtonSenior Lecturer, Tel Aviv UniversityEmail verificata su tauex.tau.ac.il
Aron WalshDepartment of Materials, Imperial College LondonEmail verificata su imperial.ac.uk
Frank ErnstProfessor of Materials Science, Case Western Reserve UniversityEmail verificata su case.edu
Akira TAKAHASHITokyo Institute of TechnologyEmail verificata su m.titech.ac.jp
Naoya ShibataThe University of TokyoEmail verificata su sigma.t.u-tokyo.ac.jp
Teruyasu MizoguchiInstitute of Industrial Science, The University of TokyoEmail verificata su iis.u-tokyo.ac.jp
Hideo HosonoProfessor, MDX Research Center for Element strategy, Tokyo Institute of TechnologyEmail verificata su mces.titech.ac.jp
Hirofumi AkamatsuKyushu UniversityEmail verificata su cstf.kyushu-u.ac.jp
Georg KresseUniversity of Vienna, Faculty of Physics, Professor for Computational Quantum MechanicsEmail verificata su univie.ac.at
Yasuhide MochizukiTokyo Institute of TechnologyEmail verificata su m.titech.ac.jp
Jay A. SwitzerDonald L. Castleman Professor of Chemistry, Missouri University of Science and TechnologyEmail verificata su mst.edu
Tetsu IchitsuboProfessor, Tohoku University (東北大学教授)Email verificata su imr.tohoku.ac.jp
Tomoyuki YamamotoProfessor, Waseda UniversityEmail verificata su waseda.jp

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Fumiyasu Oba

Laboratory for Materials and Structures, Tokyo Institute of Technology

Email verificata su msl.titech.ac.jp

Computational materials science first principles calculations semiconductors defects


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
First-principles calculations of the ferroelastic transition between rutile-type and -type at high pressures A Togo, F Oba, I Tanaka Physical Review B—Condensed Matter and Materials Physics 78 (13), 134106, 2008	5416	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—Condensed Matter and Materials Physics 77 (24), 245202, 2008	1464	2008
Band structure diagram paths based on crystallography Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka Computational Materials Science 128, 140-184, 2017	715	2017
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	516	2001
Electrostatics-based finite-size corrections for first-principles point defect calculations Y Kumagai, F Oba Physical Review B 89 (19), 195205, 2014	477	2014
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	428	2007
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	417	2011
Effect of MnO₂ Crystal Structure on Aerobic Oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic Acid E Hayashi, Y Yamaguchi, K Kamata, N Tsunoda, Y Kumagai, F Oba, ... Journal of the American Chemical Society 141 (2), 890-900, 2019	393	2019
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	356	2014
First-principles calculations of native defects in tin monoxide A Togo, F Oba, I Tanaka, K Tatsumi Physical Review B—Condensed Matter and Materials Physics 74 (19), 195128, 2006	353	2006
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—Condensed Matter and Materials Physics 73 (6), 064304, 2006	326	2006
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), 11962, 2016	276	2016
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—Condensed Matter and Materials Physics 78 (21), 214303, 2008	272	2008
Lattice dynamics of the tin sulphides SnS 2, SnS and Sn 2 S 3: vibrational spectra and thermal transport JM Skelton, LA Burton, AJ Jackson, F Oba, SC Parker, A Walsh Physical Chemistry Chemical Physics 19 (19), 12452-12465, 2017	262	2017
Ionization potentials of solids: the importance of vertex corrections A Grüneis, G Kresse, Y Hinuma, F Oba Physical review letters 112 (9), 096401, 2014	247	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	239	2006
Intercalation and Push‐Out Process with Spinel‐to‐Rocksalt Transition on Mg Insertion into Spinel Oxides in Magnesium Batteries S Okamoto, T Ichitsubo, T Kawaguchi, Y Kumagai, F Oba, S Yagi, ... Advanced Science 2 (8), 1500072, 2015	196	2015
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	186	2008
Design and exploration of semiconductors from first principles: A review of recent advances F Oba, Y Kumagai Applied Physics Express 11 (6), 060101, 2018	182	2018
Electronic Structure and Defect Physics of Tin Sulfides: SnS, , and Y Kumagai, LA Burton, A Walsh, F Oba Physical Review Applied 6 (1), 014009, 2016	166	2016

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