Versatile GaInO3-sheet with strain-tunable electronic structure, excellent mechanical flexibility, and an ideal gap for photovoltaics*

Project supported by the National Natural Science Foundation of China (Grant Nos. 11847094, 61764001, and U1404212), the Cheung Kong Scholars Programme of China, the Program of Changjiang Scholars and Innovative Research Team in University, China (Grant No. IRT1132), and Open Project of State Key Laboratory of Superhard Materials (Jilin University), China (Grant No. 201703). We acknowledge the use of computing facilities at the High Performance Computing Center of Jilin University.

Du Hui1, 2, Liu Shijie1, 3, †, Li Guoling1, ‡, Li Liben1, Liu Xueshen2, §, Liu Bingbing2, 3, ¶
       

The calculated band structures and DOS of (a) bulk GaInO3 and (b) GaInO3-sheet by PBE and HSE methods.