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Publication List - Yu Kumagai 2017 (24 / 150 entries)
Journal Paper
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A. A. Belik,
Y. Matsushita,
Y. Kumagai,
Y. Katsuya,
M. Tanaka,
S. Y. Stefanovich,
B. I. Lazoryak,
F. Oba,
K. Yamaura.
Complex structural behavior of BiMn7O12 quadruple perovskite,
Inorganic Chemistry,
vol. 56,
pp. 12272-12281,
Sept. 2017.
Official location
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K. Fujita,
T. Kawamoto,
I. Yamada,
O. Hernandez,
H. Akamatsu,
Y. Kumagai,
F. Oba,
P. Manuel,
R. Fujikawa,
S. Yoshida,
M. Fukuda,
K. Tanaka.
Perovskite-type InCoO3 with low-spin Co3+: Effect of In-O covalency on structural stabilization in comparison with rare-earth series,
Inorganic Chemistry,
vol. 56,
pp. 11113-11122,
Sept. 2017.
Official location
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Yoyo Hinuma,
Hiroyuki Hayashi,
Yu Kumagai,
Isao Tanaka,
Fumiyasu Oba.
Comparison of approximations in density functional theory calculations: Energetics and structure of binary oxides,
Physical Review B,
American Physical Society,
vol. 96,
pp. 094102-1-24,
Sept. 2017.
Official location
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Yu Kumagai,
Kou Harada,
Hirofumi Akamatsu,
Kosuke Matsuzaki,
Fumiyasu Oba.
Carrier-induced band-gap variation and point defects in Zn3N2 from first principles,
Physical Review Applied,
vol. 8,
pp. 014015-1-12,
July 2017.
Official location
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L. A. Burton,
Y. Kumagai,
A. Walsh,
F. Oba.
DFT investigation into the underperformance of sulfide materials in photovoltaic applications,
Journal of Materials Chemistry A,
vol. 5,
pp. 9132-9140,
Apr. 2017.
Official location
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Yu Kumagai,
Keith T. Butler,
Aron Walsh,
Fumiyasu Oba.
Theory of ionization potentials of nonmetallic solids,
Physical Review B,
American Physical Society,
vol. 95,
pp. 125309-1-10,
Mar. 2017.
Official location
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Lei Ding,
Pascal Manuel,
Dmitry D. Khalyavin,
Fabio Orlandi,
Yu Kumagai,
Fumiyasu Oba,
Wei Yi,
Alexei A. Belik.
Unusual magnetic structure of the high-pressure synthesized perovskites ACrO3 (A=Sc, In, Tl),
Physical Review B,
vol. 95,
pp. 054432-1-7,
Feb. 2017.
Official location
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Yoyo Hinuma,
Yu Kumagai,
Isao Tanaka,
Fumiyasu Oba.
Band alignment of semiconductors and insulators using dielectric-dependent hybrid functionals: Toward high-throughput evaluation,
Physical Review B,
American Physical Society,
vol. 95,
pp. 075302-1-10,
Feb. 2017.
Official location
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Yoyo Hinuma,
Giovanni Pizzi,
Yu Kumagai,
Fumiyasu Oba,
Isao Tanaka.
Band structure diagram paths based on crystallography,
Computational Materials Science,
vol. 128,
pp. 140-184,
Feb. 2017.
Official location
International Conference (Not reviewed / Unknown)
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Yasuhide Mochizuki,
Hirofumi Akamatsu,
Yu Kumagai,
Fumiyasu Oba.
First-Principles Study of Compressive Strain-Induced Metal-Insulator Transition in La3Ni2O7,
The 6th International Education Forum on Environment and Energy Science,
Dec. 2017.
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Y. Mochizuki,
H. Akamatsu,
Y. Kumagai,
F. Oba.
Peierls instability of a layered perovskite La3Ni2O7 under biaxial compressive strain via first-principles calculations,
Car-Parrinello Molecular Dynamics (CPMD) 2017,
Oct. 2017.
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N. Tsunoda,
Y. Kumagai,
F. Oba.
Ab initio study of point defects and p-type doping in ScN,
Car-Parrinello Molecular Dynamics (CPMD) 2017,
Oct. 2017.
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Y. Mochizuki,
H. Akamatsu,
Y. Kumagai,
F. Oba.
Metal-insulator transition with structural distortion in a layered perovskite La3Ni2O7: A first-principles study,
Frontiers in Materials Science 2017,
Sept. 2017.
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Y. Mochizuki,
H. Akamatsu,
Y. Kumagai,
F. Oba.
First-principles study of strain-induced metal-insulator transition in a lanthanum nickelate layered perovskite,
International Conference on Materials and Systems for Sustainability (ICMaSS) 2017,
Sept. 2017.
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N. Tsunoda,
Y. Kumagai,
F. Oba.
Point defects in scandium nitride: A first-principles study,
The Tenth International Conference on the Science and Technology for Advanced Ceramics (STAC-10),
Aug. 2017.
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Y. Mochizuki,
H. Akamatsu,
Y. Kumagai,
F. Oba.
Metal-insulator phase transition induced by biaxial compressive strain in La3Ni2O7: A first-principles study,
The Tenth International Conference on the Science and Technology for Advanced Ceramics (STAC-10),
Aug. 2017.
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N. Nishiya,
K. Harada,
Y. Kumagai,
H. Akamatsu,
F. Oba.
Theoretical study of doping limits in semiconductors,
The Tenth International Conference on the Science and Technology for Advanced Ceramics (STAC-10),
Aug. 2017.
Domestic Conference (Not reviewed / Unknown)
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Yasuhide Mochizuki,
Hirofumi Akamatsu,
Yu Kumagai,
Fumiyasu Oba.
第一原理計算によるLa3Ni2O7の圧縮面内歪誘起金属絶縁体転移,
第27回日本MRS年次大会,
Dec. 2017.
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Naoki Tsunoda,
Yu Kumagai,
Fumiyasu Oba.
Defect Energetics in Scandium Nitride: A First-Principles Study,
第27回日本MRS年次大会,
Dec. 2017.
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Nobuhiko Nishiya,
Kou Harada,
Yu Kumagai,
Hirofumi Akamatsu,
Fumiyasu Oba.
化合物半導体における点欠陥形成とドーピング限界の理論的検討,
日本金属学会2017年春期講演大会,
Mar. 2017.
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Yasuhide Mochizuki,
Hirofumi Akamatsu,
Yu Kumagai,
Fumiyasu Oba.
第一原理計算による層状ペロブスカイトLa3Ni2O7の面内歪下における安定結晶構造探,
日本金属学会2017年春期講演大会,
Mar. 2017.
Other Publication
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Yu Kumagai,
Fumiyasu Oba.
半導体材料探索に向けた計算データベースの開発,
固体物理,
アグネ技術センター,
vol. 52,
pp. 725-732,
Nov. 2017.
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Fumiyasu Oba,
日沼洋陽,
Yu Kumagai.
第一原理計算による半導体の物性予測と物質探索,
まてりあ,
vol. 56,
pp. 554-559,
Sept. 2017.
Official location
Patent
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