Следене
Yu Kumagai
Yu Kumagai
Professor, Institute for Materials Research, Tohoku University
Потвърден имейл адрес: tohoku.ac.jp
Заглавие
Позовавания
Позовавания
Година
Band structure diagram paths based on crystallography
Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka
Computational Materials Science 128, 140-184, 2017
6872017
Anisotropic conductance at improper ferroelectric domain walls
D Meier, J Seidel, A Cano, K Delaney, Y Kumagai, M Mostovoy, ...
Nature Materials 11, 284-288, 2011
5132011
Electrostatics-based finite-size corrections for first-principles point defect calculations
Y Kumagai, F Oba
Physical Review B 89 (19), 195205, 2014
4532014
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
3742019
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
2702016
Scaling behavior and beyond equilibrium in the hexagonal manganites
SM Griffin, M Lilienblum, KT Delaney, Y Kumagai, M Fiebig, NA Spaldin
Physical Review X 2 (4), 041022, 2012
2252012
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
1932015
Design and exploration of semiconductors from first principles: A review of recent advances
F Oba, Y Kumagai
Applied Physics Express 11 (6), 060101, 2018
1752018
Functional electronic inversion layers at ferroelectric domain walls
JA Mundy, J Schaab, Y Kumagai, A Cano, M Stengel, IP Krug, DM Gottlob, ...
Nature materials 16 (6), 622-627, 2017
1702017
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
1632016
Structural domain walls in polar hexagonal manganites
Y Kumagai, NA Spaldin
Nature Communications 4, 1540, 2012
1332012
Antiferromagnetic superexchange via states of titanium in EuTiO as seen from hybrid Hartree-Fock density functional calculations
H Akamatsu, Y Kumagai, F Oba, K Fujita, H Murakami, K Tanaka, ...
Physical Review B—Condensed Matter and Materials Physics 83 (21), 214421, 2011
1312011
First-principles study of self-trapped holes and acceptor impurities in polymorphs
T Gake, Y Kumagai, F Oba
Physical Review Materials 3 (4), 044603, 2019
1262019
Anti-ferrodistortive-like oxygen-octahedron rotation induced by the oxygen vacancy in cubic SrTiO3.
M Choi, F Oba, Y Kumagai, I Tanaka
Advanced Materials (Deerfield Beach, Fla.) 25 (1), 86-90, 2012
1232012
Comparison of approximations in density functional theory calculations: Energetics and structure of binary oxides
Y Hinuma, H Hayashi, Y Kumagai, I Tanaka, F Oba
Physical Review B 96 (9), 094102, 2017
1202017
Native point defects and carbon clusters in 4H-SiC: A hybrid functional study
T Kobayashi, K Harada, Y Kumagai, F Oba, Y Matsushita
Journal of Applied Physics 125 (12), 2019
802019
Ionization potentials of (112) and (11) facet surfaces of CuInSe and CuGaSe
Y Hinuma, F Oba, Y Kumagai, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 86 (24), 245433, 2012
802012
Toward “rocking-chair type” Mg–Li dual-salt batteries
T Ichitsubo, S Okamoto, T Kawaguchi, Y Kumagai, F Oba, S Yagi, N Goto, ...
Journal of Materials Chemistry A 3 (19), 10188-10194, 2015
782015
Fast Diffusion of Multivalent Ions Facilitated by Concerted Interactions in Dual‐Ion Battery Systems
H Li, NL Okamoto, T Hatakeyama, Y Kumagai, F Oba, T Ichitsubo
Advanced Energy Materials 8 (27), 1801475, 2018
762018
Band alignment of semiconductors and insulators using dielectric-dependent hybrid functionals: Toward high-throughput evaluation
Y Hinuma, Y Kumagai, I Tanaka, F Oba
Physical Review B 95 (7), 075302, 2017
752017
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