Fig. 4: Using band structure calculations to identify optically allowed transitions.
From: Dual phases of crystalline and electronic structures in the nanocrystalline perovskite CsPbBr3
Structural diagrams of CsPbBr3 in the a orthorhombic and b tetragonal phases. Inset orthorhombic Brillouin Zone. Calculated energy dispersion bands of CsPbBr3 in the c orthorhombic and d I4/mcm tetragonal structural phases from the DFT simulations. e High energy critical points in ∈2 matched to the allowed energy transitions from the calculations of both structural phases.
