"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",,,,,,2017,Dec.
"望月 泰英,赤松 寛文,熊谷 悠,大場 史康","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",,,,,,2017,Dec.
"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",,,,,,2017,Oct.
"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",2017,Sept.
"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",,,,,,2017,Sept.
"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",,,,,,2017,Sept.
"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)",,,,,,2017,Aug.
"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)",,,,,,2017,Aug.
"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",2017,July
"西谷宣彦,原田航,熊谷悠,赤松寛文,大場史康","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",,,,,,2017,Mar.
"望月泰英,赤松寛文,熊谷悠,大場史康","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",,,,,,2017,Mar.