Fumiyasu Oba

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

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Fumiyasu Oba

Laboratory for Materials and Structures, Tokyo Institute of Technology

Verifisert e-postadresse på msl.titech.ac.jp

Computational materials science first principles calculations semiconductors defects


Tittel Sorter etter sitater Sorter etter år Sorter etter tittel	Sitert av Sitert av	År
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	5535	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	1466	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	750	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	519	2001
Electrostatics-based finite-size corrections for first-principles point defect calculations Y Kumagai, F Oba Physical Review B 89 (19), 195205, 2014	495	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	441	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	427	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	418	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	363	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	356	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	333	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	281	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	278	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	276	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	260	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	238	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	198	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	192	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	190	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	172	2016

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