| 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 | 359 | 2011 |
| Electrostatics-based finite-size corrections for first-principles point defect calculations Y Kumagai, F Oba Physical Review B 89 (19), 195205, 2014 | 241 | 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 | 205 | 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 | 160 | 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 | 130 | 2016 |
| Structural domain walls in polar hexagonal manganites Y Kumagai, NA Spaldin Nature Communications 4, 1540, 2012 | 98 | 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 | 95 | 2011 |
| 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 | 94 | 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 | 94 | 2015 |
| 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 | 88 | 2019 |
| 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 | 84 | 2017 |
| 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 | 83 | 2013 |
| 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 | 61 | 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 | 60 | 2012 |
| Design and exploration of semiconductors from first principles: A review of recent advances F Oba, Y Kumagai Applied Physics Express 11 (6), 060101, 2018 | 59 | 2018 |
| 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 | 53 | 2017 |
| 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 | 51 | 2006 |
| 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 | 50 | 2015 |
| 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 | 44 | 2017 |
| Crystal and Electronic Structure and Magnetic Properties of Divalent Europium Perovskite Oxides EuMO3 (M = Ti, Zr, and Hf): Experimental and First-Principles … H Akamatsu, K Fujita, H Hayashi, T Kawamoto, Y Kumagai, Y Zong, ... Inorganic chemistry 51 (8), 4560-4567, 2012 | 42 | 2012 |
Alexei A. BelikWPI-MANA, National Institute for Materials Science確認したメール アドレス: nims.go.jp
