論文

• Teruya Nagafuji, Koshiro Osuna, Kota Hanzawa, Tomoya Gake, Sougmin Bae, Zhongxu Hu, Takayoshi Katase, Akira Takahashi, Hidenori Hiramatsu, Fumiyasu Oba. Carrier generation and compensation mechanism in La2SnO2S3, J. Mater. Chem. C, Vol. 12, pp. 12015, July 2024.  公式リンク  
  
• Yasuhide Mochizuki, Ha-Jun Sung, Tomoya Gake, Fumiyasu Oba. Chemical Trends of Surface Reconstruction and Band Positions of Nonmetallic Perovskite Oxides from First Principles, Chemistry of Materials, American Chemical Society, Vol. 35, Issue 5, pp. 2047-2057, Feb. 2023.
• T. Gake, Y. Kumagai, A. Takahashi, H. Hiramatsu, F. Oba. Defect formation and carrier compensation in layered oxychalcogenide La2CdO2Se2: an insight from first principles, Journal of Materials Chemistry C, vol. 10, pp. 16828, Oct. 2022.  公式リンク  
  
• T. Gake, Y. Kumagai, A. Takahashi, F. Oba. Point defects in p-type transparent conductive CuMO2 (M = Al, Ga, In) from first principles, Physical Review Materials, vol. 5, pp. 104602, Oct. 2021.  公式リンク  
  
• T. Gake, Y. Kumagai, C. Freysoldt, F. Oba. Finite-size corrections for defect-involving vertical transitions in supercell calculations, Physical Review B, American Physical Society, vol. 101, pp. 020102(R), Jan. 2020.  公式リンク  
  
• Y. Hinuma, T. Gake, F. Oba. Band alignment at surfaces and heterointerfaces of Al2O3, Ga2O3, In2O3, and related group-III oxide polymorphs: A first-principles study, Physical Review Materials, vol. 3, pp. 084605, Aug. 2019.  公式リンク  
  
• T. Kobayashi, T. Gake, Y. Kumagai, F. Oba, Y. Matsushita. Energetics and electronic structure of native point defects in α-Ga2O3, Applied Physics Express, vol. 12, pp. 091001, Aug. 2019.  公式リンク  
  
• T. Gake, Y. Kumagai, F. Oba. First-principles study of self-trapped holes and acceptor impurities in Ga2O3 polymorphs, Physical Review Materials, vol. 8, pp. 044603, Apr. 2019.  公式リンク  
  

国際会議発表 (査読有り)

• Teruya Nagafuji, Koshiro Osuna, Kota Hanzawa, Tomoya Gake, Soungmin Bae, Zhongxu Hu, Takayoshi Katase, Akira Takahashi, Hidenori Hiramatsu, Fumiyasu Oba. Point Defects and Self-Trapped Electrons in La2SnO2S3, The Fourteenth International Conference on the Science and Technology for Advanced Ceramics (STAC14), Oct. 2024.
• Teruya Nagafuji, Koshiro Osuna, Kota Hanzawa, Tomoya Gake, Soungmin Bae, Zhongxu Hu, Takayoshi Katase, Akira Takahashi, Hidenori Hiramatsu, Fumiyasu Oba. Elucidation of Carrier Generation and Compensation Mechanism in La2SnO2S3, The 4th International Symposium on Design & Engineering by Joint Inverse Innovation for Materials Architecture (DEJI2MA2024), Oct. 2024.
• Y. Mochizuki, H.-J. Sung, T. Gake, F. Oba. Chemical Trends of Surface Reconstruction and Band Alignment for Nonmetallic ABO3 from First Principles, The 14th International Conference on the Science and Technology for Advanced Ceramics (STAC-14), Oct. 2024.
• Y. Mochizuki, H.-J. Sung, T. Gake, F. Oba. Chemical Trends of Surface Reconstruction and Band Alignment for Nonmetallic Perovskite Oxides: A First-Principles Study, MRM2023/IUMRS-ICA2023, Dec. 2023.
• T. Gake, Y. Kumagai, F. Oba. Hole Trapping in Gallium Oxide from First Principles, The 6th International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC6), June 2019.

国際会議発表 (査読なし・不明)

• Teruya Nagafuji, Tomoya Gake, Soungmin Bae, Akira Takahashi, Fumiyasu Oba. Clarification of point defect formation in La2SnO2S3 by first-principles calculations, STAC-D2MatE 2024, Feb. 2024.
• Teruya Nagafuji, Tomoya Gake, Akira Takahashi, Soungmin Bae, Fumiyasu Oba. Defect formation and carrier compensation in La2SnO2S3: a first-principles study, MRM2023/IUMRS-ICA2023, Dec. 2023.
• Teruya Nagafuji, Tomoya Gake, Soungmin Bae, Akira Takahashi, Fumiyasu Oba. First-principles study of point defect formation in La2SnO2S3, The 3rd International Symposium on Design & Engineering by Joint Inverse Innovation for Materials Architecture, Oct. 2023.
• T. Gake, Y. Kumagai, A. Takahashi, F. Oba. Point Defects in CuMO2 (M = Al, Ga, In): A First-Principles Study, Materials Research Meeting 2021, Dec. 2021.
• T. Gake, Y. Kumagai, A. Takahashi, F. Oba. First-principles study of point defects in CuMO2 (M = Al, Ga, In), The 12th International Conference on the Science and Technology for Advanced Ceramics (STAC-12), July 2021.
• T. Gake, Y. Kumagai, F. Oba. Stability of Self-Trapped Holes in Ga2O3 polymorphs, Materials Research Meeting 2019, Dec. 2019.
• T. Gake, Y. Kumagai, F. Oba. Small hole polarons in Ga2O3 polymorphs: a first-principles study, The 11th International Conference on the Science and Technology for Advanced Ceramics (STAC-11), July 2019.
• T. Gake, Y. Kumagai, F. Oba. Theoretical study of self-trapped holes in gallium oxide, The 3rd International Symposium on Creation of Life Innovation Materials for Interdisciplinary and International Researcher Development (iLIM-3), Sept. 2018.

国内会議発表 (査読なし・不明)

• 長藤瑛哉, 我毛智哉, 裵星旻, 高橋亮, 大場史康. La2SnO2S3における点欠陥及び自己束縛電子に関する第一原理計算, 日本金属学会2024年春期(第174回)講演大会, Mar. 2024.
• 長藤瑛哉, 我毛智哉, 裵星旻, 高橋亮, 大場史康. 層状オキシサルファイドLa2SnO2S3における点欠陥・キャリア生成に関する第一原理計算, 第62回セラミックス基礎科学討論会, Jan. 2024.
• 長藤瑛哉, 我毛智哉, 裵星旻, 高橋亮, 大場史康. 第一原理計算を用いたLa2SnO2S3におけるキャリア生成・補償機構の解明, 第43回電子材料研究討論会, Nov. 2023.
• 我毛 智哉, 熊谷 悠, 高橋 亮, 大場 史康. La2CdO2Se2中の固有点欠陥に関する理論的検討, 日本セラミックス協会第35回秋季シンポジウム, Sept. 2022.
• 我毛 智哉, 熊谷 悠, 大場 史康. 層状オキシカルコゲナイドLa2CdO2Se2中の点欠陥の第一原理計算, 日本金属学会2022年春期講演大会, Mar. 2022.
• 我毛 智哉, 熊谷 悠, 大場 史康. 酸化ガリウム多形における自己束縛正孔の第一原理計算による検討, 第67回応用物理学会春季学術講演会, Mar. 2020.
• Tomoya Gake, Yu Kumagai, Fumiyasu Oba. Finite-Size Corrections for First-Principles Calculations of Defect-Involving Vertical Transitions, 第29回日本MRS年次大会, Nov. 2019.
• 我毛 智哉, 熊谷 悠, 大場 史康. 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, 日本金属学会2019年秋期講演大会, Sept. 2019.
• 我毛 智哉, 熊谷 悠, 大場 史康. Ga2O3中の自己束縛正孔の第一原理計算, 日本金属学会2019年春期講演大会, Mar. 2019.
• 我毛 智哉, 熊谷 悠, 大場 史康. 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, 第57回セラミックス基礎科学討論会, Jan. 2019.
• Tomoya Gake, Yu Kumagai, Fumiyasu Oba. First-Principles Study of Hole Polarons in Ga2O3 Polymorphs, 第28回日本MRS年次大会, Dec. 2018.

特許など

• 大場史康, 平松秀典, 我毛智哉, 半沢幸太. ４元系酸カルコゲン化物および電子素子. 特許. 公開. 国立大学法人東京工業大学. 2022/12/22. 特願2022-205476. 2024/07/05. 特開2024-091629. 2024.

学位論文

• Theoretical study of point defects in wide-gap oxides and oxychalcogenides,  Thesis,  Doctor (Engineering),  Tokyo Institute of Technology,  2023/03/26, 
• Theoretical study of point defects in wide-gap oxides and oxychalcogenides,  Exam Summary,  Doctor (Engineering),  Tokyo Institute of Technology,  2023/03/26,   
• Theoretical study of point defects in wide-gap oxides and oxychalcogenides,  Summary,  Doctor (Engineering),  Tokyo Institute of Technology,  2023/03/26,   
• Theoretical study of point defects in wide-gap oxides and oxychalcogenides,  Outline,  Doctor (Engineering),  Tokyo Institute of Technology,  2023/03/26,   

[ BibTeX 形式で保存 ]    [ 論文・著書をCSV形式で保存 ]    [ 特許をCSV形式で保存 ]