Yu Kumagai
TitleCited byYear
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
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
Band structure diagram paths based on crystallography
Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka
Computational Materials Science 128, 140-184, 2017
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
Structural domain walls in polar hexagonal manganites
Y Kumagai, NA Spaldin
Nature Communications 4, 1540, 2012
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
Electronic Structure and Defect Physics of Tin Sulfides: SnS, Sn 2 S 3, and Sn S 2
Y Kumagai, LA Burton, A Walsh, F Oba
Physical Review Applied 6 (1), 014009, 2016
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
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
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
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
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
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
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
First-principles calculations of the phase diagrams and band gaps in CuInSe 2-CuGaSe 2 and CuInSe 2-CuAlSe 2 pseudobinary systems
Y Kumagai, Y Soda, F Oba, A Seko, I Tanaka
Physical Review B 85 (3), 033203, 2012
Crystal and Electronic Structure and Magnetic Properties of Divalent Europium Perovskite Oxides EuMO3 (M = Ti, Zr, and Hf): Experimental and First-Principles c
H Akamatsu, K Fujita, H Hayashi, T Kawamoto, Y Kumagai, Y Zong, ...
Inorganic chemistry 51 (8), 4560-4567, 2012
First-principles study of point defects in chalcopyrite ZnSnP 2
Y Kumagai, M Choi, Y Nose, F Oba
Physical Review B 90 (12), 125202, 2014
Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites
KT Butler, Y Kumagai, F Oba, A Walsh
Journal of Materials Chemistry C 4 (6), 1149-1158, 2016
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Articles 1–20