論文

• 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.
• Yasuhide Mochizuki, Ha-Jun Sung, Akira Takahashi, Yu Kumagai, Fumiyasu Oba. Theoretical exploration of mixed-anion antiperovskite semiconductors M3XN (M = Mg, Ca, Sr, Ba; X = P, As, Sb, Bi), Physical Review Materials, Vol. 4, No. 4, pp. 044601, Apr. 2020.
• Ha-Jun Sung, Yasuhide Mochizuki, Fumiyasu Oba. Surface reconstruction and band alignment of nonmetallic A(II)B(IV)O3 perovskites, Physical Review Materials, Vol. 4, No. 4, pp. 044606, Apr. 2020.

国際会議発表 (査読有り)

• 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.

国際会議発表 (査読なし・不明)

• Ha-Jun SUNG, Yasuhide Mochizuki, Fumiyasu Oba. Effects of chemical composition and surface reconstruction on band alignment of perovskite oxides, Materials Research Meeting 2019, Dec. 2019.
• Ha-Jun Sung, Yasuhide Mochizuki, Fumiyasu Oba. Band Alignment and Reconstruction of ABO3 (001) Surfaces, The 22nd Asian Workshop on First-Principles Electronic Structure Calculations, Oct. 2019.
• Yasuhide Mochizuki, Ha-Jun Sung, Akira Takahashi, Yu Kumagai, Fumiyasu Oba. Ground-State Structure Search for Pnictide Antiperovskites, The 22nd Asian Workshop on First-Principles Electronic Structure Calculations, Oct. 2019.

国内会議発表 (査読なし・不明)

• 望月 泰英, 赤松 寛文, 熊谷 悠, Ha-Jun Sung, 高橋 亮, 永井 隆之, 谷口 博基, 大場 史康. 第一原理格子動力学計算を用いたペロブスカイト物質の構造探索, 第40回電子材料研究討論会, Nov. 2020.
• 望月 泰英, ソン ハジュン, 高橋 亮, 熊谷 悠, 大場 史康. 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, 第29回日本MRS年次大会, Nov. 2019.
• Ha-Jun SUNG, Yasuhide Mochizuki, Fumiyasu Oba. Effects of Surface Reconstruction on Band Alignment in Perovskite Oxides, 第29回日本MRS年次大会, Nov. 2019.

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