The structural, electronic and optical properties of all-inorganic CsPb1−xSnxBr3 perovskite: A theoretical study

Abstract All-inorganic halide perovskites have emerged as the promising candidates for optoelectronic device. First-principles calculations are conducted to explore the structural, electronic and optical properties of the CsPb1−xSnxBr3 compounds. The results indicate that these inorganic compounds show high stability and the trend of phase segregation is not found. The HSE06 functional can provide accurate band gap for CsPb1−xSnxBr3 (x