@article{CTT100809989, author = {N. Tsunoda and Y. Kumagai and F. Oba}, title = {Stabilization of small polarons in BaTiO3 by local distortions}, journal = {Physical Review Materials}, year = 2019, } @article{CTT100819946, author = {R. Liu and D. D. Khalyavin and N. Tsunoda and Y. Kumagai and F. Oba and Y. Katsuya and M. Tanaka and K. Yamaura and A. A. Belik}, title = {Spin-glass magnetic properties of A-site columnar-ordered quadruple perovskites Y2MnGa(Mn4–xGax)O12 with 0 ≤ x ≤ 3"}, journal = {Inorganic Chemistry}, year = 2019, } @article{CTT100808943, author = {Y. Wang and T. Ohsawa and Y. Kumagai and K. Harada and F. Oba and N. Ohashi}, title = {Achieving non-degenerate Zn3N2 thin films by near room temperature sputtering deposition}, journal = {Applied Physics Letters}, year = 2019, } @article{CTT100808941, author = {T. Kobayashi and T. Gake and Y. Kumagai and F. Oba and Y. Matsushita}, title = {Energetics and electronic structure of native point defects in α-Ga2O3}, journal = {Applied Physics Express}, year = 2019, } @article{CTT100808944, author = {K. Shimokawa and T. Atsumi and M. Harada and R. E. Ward and M. Nakayama and Y. Kumagai and F. Oba and N. L. Okamoto and K. Kanamura and T. Ichitsubo}, title = {Zinc-based spinel cathode materials for magnesium rechargeable batteries: Toward the reversible spinel-rocksalt transition}, journal = {Journal of Materials Chemistry A}, year = 2019, } @article{CTT100808934, author = {T. Gake and Y. Kumagai and F. Oba}, title = {First-principles study of self-trapped holes and acceptor impurities in Ga2O3 polymorphs}, journal = {Physical Review Materials}, year = 2019, } @article{CTT100808936, author = {T. Kobayashi and K. Harada and Y. Kumagai and F. Oba and Y. Matsushita}, title = {Native point defects and carbon clusters in 4H-SiC: A hybrid functional study}, journal = {Journal of Applied Physics}, year = 2019, } @article{CTT100792589, author = {N. Tsunoda and Y. Kumagai and M. Araki and F. Oba}, title = {One-dimensionally extended oxygen vacancy states in perovskite oxides}, journal = {Physical Review B}, year = 2019, } @inproceedings{CTT100820130, author = {Yu Kumagai and Akira Takahashi and Fumiyasu Oba}, title = {High-Throughput Calculations and Machine-Learning Prediction of Oxygen Vacancy Formation Energies}, booktitle = {}, year = 2019, } @inproceedings{CTT100809762, author = {Christian A. Niedermeier and Yu Kumagai and Keisuke Ide and Takayoshi Katase and Fumiyasu Oba and Hideo Hosono and Toshio Kamiya}, title = {Single crystal growth and intrinsic electron mobility of cubic SrGeO3}, booktitle = {}, year = 2019, } @inproceedings{CTT100821908, author = {T. Gake and Y. Kumagai and F. Oba}, title = {Stability of Self-Trapped Holes in Ga2O3 polymorphs}, booktitle = {}, year = 2019, } @inproceedings{CTT100813604, author = {Yasuhide Mochizuki and Yu Kumagai and Hirofumi Akamatsu and Fumiyasu Oba}, title = {Strain-induced Peierls transition and polar-metal phases in Ni-based perovskites}, booktitle = {}, year = 2019, } @inproceedings{CTT100821906, author = {Naoki Tsunoda and Yu Kumagai and Fumiyasu Oba}, title = {Small Polarons in BaTiO3: A First-Principles Study}, booktitle = {}, year = 2019, } @inproceedings{CTT100809882, author = {Akira Takahashi and Yu Kumagai and Jun Miyamoto and Fumiyasu Oba}, title = {Prediction of Material Properties from First Principles and Machine Learning}, booktitle = {}, year = 2019, } @inproceedings{CTT100809597, author = {Yasuhide Mochizuki and Ha-Jun SUNG and Akira Takahashi and Yu Kumagai and Fumiyasu Oba}, title = {ニクタイドアンチペロブスカイトにおける安定構造探索}, booktitle = {}, year = 2019, } @inproceedings{CTT100821909, author = {Tomoya Gake and Yu Kumagai and Fumiyasu Oba}, title = {Finite-Size Corrections for First-Principles Calculations of Defect-Involving Vertical Transitions}, booktitle = {}, year = 2019, } @inproceedings{CTT100808914, author = {Yasuhide Mochizuki and Ha-Jun Sung and Akira Takahashi and Yu Kumagai and Fumiyasu Oba}, title = {Ground-State Structure Search for Pnictide Antiperovskites}, booktitle = {}, year = 2019, } @inproceedings{CTT100809745, author = {Christian A. Niedermeier and Yu Kumagai and Keisuke Ide and Takayoshi Katase and Fumiyasu Oba and Hideo Hosono and Toshio Kamiya}, title = {Single crystal growth of cubic SrGeO3 and estimation of intrinsic electron mobility}, booktitle = {}, year = 2019, } @inproceedings{CTT100809883, author = {Akira Takahashi and Yu Kumagai and Jun Miyamoto and Yasuhide Mochizuki and Fumiyasu Oba}, title = {Machine Learning Model for Predicting Dielectric Constants of Oxides}, booktitle = {}, year = 2019, } @inproceedings{CTT100821905, author = {Naoki Tsunoda and Yu Kumagai and Fumiyasu Oba and }, title = {BaTiO3 中の電子ポーラロンに関する理論的検討}, booktitle = {}, year = 2019, } @inproceedings{CTT100809884, author = {Akira Takahashi and Yu Kumagai and Jun Miyamoto and Yasuhide Mochizuki and Fumiyasu Oba}, title = {酸化物誘電率計算データベースと機械学習による誘電率予測モデルの構築}, booktitle = {}, year = 2019, } @inproceedings{CTT100821910, author = {Tomoya Gake and Yu Kumagai and Fumiyasu Oba}, title = {欠陥を介した光学遷移エネルギーの高精度計算手法の開発}, booktitle = {}, year = 2019, } @inproceedings{CTT100821912, author = {T. Gake and Y. Kumagai and F. Oba}, title = {Small hole polarons in Ga2O3 polymorphs: a first-principles study}, booktitle = {}, year = 2019, } @inproceedings{CTT100809756, author = {Christian A. Niedermeier and Yu Kumagai and Keisuke Ide and Takayoshi Katase and Fumiyasu Oba and Hideo Hosono and Toshio Kamiya}, title = {SrGeO3 single crystal growth and optical phonon spectrum analysis}, booktitle = {}, year = 2019, } @inproceedings{CTT100803310, author = {Yasuhide Mochizuki and Yu Kumagai and Hirofumi Akamatsu and Fumiyasu Oba}, title = {Polar-Metal Phases in Strained Antiperovskites: A First-principles Study}, booktitle = {}, year = 2019, } @inproceedings{CTT100821913, author = {T. Gake and Y. Kumagai and F. Oba}, title = {Hole Trapping in Gallium Oxide from First Principles}, booktitle = {}, year = 2019, } @inproceedings{CTT100821915, author = {Tomoya Gake and Yu Kumagai and Fumiyasu Oba}, title = {Ga2O3中の自己束縛正孔の第一原理計算}, booktitle = {}, year = 2019, } @inproceedings{CTT100813605, author = {Yasuhide Mochizuki and Yu Kumagai and Hirofumi Akamatsu and Fumiyasu Oba}, title = {Polar metallic behavior in strained antiperovskites: A first-principles study}, booktitle = {}, year = 2019, } @inproceedings{CTT100821916, author = {Tomoya Gake and Yu Kumagai and Fumiyasu Oba}, title = {酸化ガリウム多形におけるホールポーラロンの第一原理計算}, booktitle = {}, year = 2019, }