Theo dõi
Fumiyasu Oba
Fumiyasu Oba
Laboratory for Materials and Structures, Tokyo Institute of Technology
Email được xác minh tại msl.titech.ac.jp
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
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
55562008
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
14672008
Band structure diagram paths based on crystallography
Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka
Computational Materials Science 128, 140-184, 2017
7592017
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
5202001
Electrostatics-based finite-size corrections for first-principles point defect calculations
Y Kumagai, F Oba
Physical Review B 89 (19), 195205, 2014
4972014
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
4472007
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
4302011
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
4192019
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
3642014
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
3562006
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
3352006
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
2832016
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
2782008
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
2762017
Ionization potentials of solids: the importance of vertex corrections
A Grüneis, G Kresse, Y Hinuma, F Oba
Physical review letters 112 (9), 096401, 2014
2612014
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
2382006
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
1992015
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
1942008
Design and exploration of semiconductors from first principles: A review of recent advances
F Oba, Y Kumagai
Applied Physics Express 11 (6), 060101, 2018
1932018
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
1722016
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