Fumiyasu Oba
Fumiyasu Oba
Laboratory for Materials and Structures, Tokyo Institute of Technology
Verified email at msl.titech.ac.jp
Cited by
Cited by
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
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
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
Point defects in ZnO: an approach from first principles
F Oba, M Choi, A Togo, I Tanaka
Science and Technology of Advanced Materials, 2011
Electrostatics-based finite-size corrections for first-principles point defect calculations
Y Kumagai, F Oba
Physical Review B 89 (19), 195205, 2014
First-principles calculations of native defects in tin monoxide
A Togo, F Oba, I Tanaka, K Tatsumi
Physical Review B 74 (19), 195128, 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
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
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
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
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
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
Ionization potentials of solids: the importance of vertex corrections
A Grüneis, G Kresse, Y Hinuma, F Oba
Physical review letters 112 (9), 096401, 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
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
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
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
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
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
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
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