Yu Kumagai
Cited by
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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
Electrostatics-based finite-size corrections for first-principles point defect calculations
Y Kumagai, F Oba
Physical Review B 89 (19), 195205, 2014
Band structure diagram paths based on crystallography
Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka
Computational Materials Science 128, 140-184, 2017
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
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
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
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
Structural domain walls in polar hexagonal manganites
Y Kumagai, NA Spaldin
Nature Communications 4, 1540, 2012
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
Antiferromagnetic superexchange via 3 d states of titanium in EuTiO 3 as seen from hybrid Hartree-Fock density functional calculations
H Akamatsu, Y Kumagai, F Oba, K Fujita, H Murakami, K Tanaka, ...
Physical Review B 83 (21), 214421, 2011
Anti]ferrodistortive]Like oxygen]octahedron rotation induced by the oxygen vacancy in cubic SrTiO3
M Choi, F Oba, Y Kumagai, I Tanaka
Advanced Materials 25 (1), 86-90, 2013
Design and exploration of semiconductors from first principles: A review of recent advances
F Oba, Y Kumagai
Applied Physics Express 11 (6), 060101, 2018
Ionization potentials of (112) and (11) facet surfaces of CuInSe and CuGaSe
Y Hinuma, F Oba, Y Kumagai, I Tanaka
Physical Review B 86 (24), 245433, 2012
Observation of persistent centrosymmetricity in the hexagonal manganite family
Y Kumagai, AA Belik, M Lilienblum, N Leo, M Fiebig, NA Spaldin
Physical Review B 85 (17), 174422, 2012
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
Toward grocking-chair typeh 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
First-principles multi-electron calculations for L2, 3 ELNES/XANES of 3d transition metal monoxides
H Ikeno, T Mizoguchi, Y Koyama, Y Kumagai, I Tanaka
Ultramicroscopy 106 (11-12), 970-975, 2006
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
Band offsets of CuInSe/CdS and CuInSe/ZnS (110) interfaces: A hybrid density functional theory study
Y Hinuma, F Oba, Y Kumagai, I Tanaka
Physical Review B 88 (3), 035305, 2013
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Articles 1–20