@article{CTT100886978, author = {Yasuhide Mochizuki and Ha-Jun Sung and Tomoya Gake and Fumiyasu Oba}, title = {Chemical Trends of Surface Reconstruction and Band Positions of Nonmetallic Perovskite Oxides from First Principles}, journal = {Chemistry of Materials}, year = 2023, } @article{CTT100821411, author = {Yasuhide Mochizuki and Ha-Jun Sung and Akira Takahashi and Yu Kumagai and Fumiyasu Oba}, title = {Theoretical exploration of mixed-anion antiperovskite semiconductors M3XN (M = Mg, Ca, Sr, Ba; X = P, As, Sb, Bi)}, journal = {Physical Review Materials}, year = 2020, } @article{CTT100822452, author = {Ha-Jun Sung and Yasuhide Mochizuki and Fumiyasu Oba}, title = {Surface reconstruction and band alignment of nonmetallic A(II)B(IV)O3 perovskites}, journal = {Physical Review Materials}, year = 2020, } @inproceedings{CTT100926123, author = {Y. Mochizuki and H.-J. Sung and T. Gake and F. Oba}, title = {Chemical Trends of Surface Reconstruction and Band Alignment for Nonmetallic ABO3 from First Principles}, booktitle = {}, year = 2024, } @inproceedings{CTT100907455, author = {Y. Mochizuki and H.-J. Sung and T. Gake and F. Oba}, title = {Chemical Trends of Surface Reconstruction and Band Alignment for Nonmetallic Perovskite Oxides: A First-Principles Study}, booktitle = {}, year = 2023, } @inproceedings{CTT100841413, author = {望月 泰英 and 赤松 寛文 and 熊谷 悠 and Ha-Jun Sung and 高橋 亮 and 永井 隆之 and 谷口 博基 and 大場 史康}, title = {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}, booktitle = {}, year = 2020, } @inproceedings{CTT100813602, author = {Ha-Jun SUNG and Yasuhide Mochizuki and Fumiyasu Oba}, title = {Effects of chemical composition and surface reconstruction on band alignment of perovskite oxides}, booktitle = {}, year = 2019, } @inproceedings{CTT100809597, author = {望月 泰英 and ソン ハジュン and 高橋 亮 and 熊谷 悠 and 大場 史康}, 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{CTT100813601, author = {Ha-Jun SUNG and Yasuhide Mochizuki and Fumiyasu Oba}, title = {Effects of Surface Reconstruction on Band Alignment in Perovskite Oxides}, booktitle = {}, year = 2019, } @inproceedings{CTT100813603, author = {Ha-Jun Sung and Yasuhide Mochizuki and Fumiyasu Oba}, title = {Band Alignment and Reconstruction of ABO3 (001) Surfaces}, 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, }