Structure and electronic properties of CsPbBr₃ perovskite: first principle calculations

Ultra-fast low temperature scintillation and X-ray luminescence of CsPbCl3 crystals

“…46,47 The valence band maximum of lead-halide perovskites is formed by hybridisation of states of Pb and halide ions. 48,49…”

“…46,47 The valence band maximum of lead-halide perovskites is formed by hybridisation of states of Pb and halide ions. 48,49 To elucidate the origin of the top of the valence band (VB) and the bottom of the (CB) in CsPbCl 3 , we carried out firstprinciples calculations using density functional theory. The DOS and PDOS for CsPbCl 3 in the low-temperature orthorhombic phase are plotted in Fig.…”