A DFT study of the effect of strain on the structural and electronic properties of perovskite APbBr3 (A = K, Rb, and Cs)

The literature^15,22 reports the tetragonal phase of perovskite CsPbBr₃ crystal. This perovskite has the experimental lattice constant a = 6.0173 Å and belongs to the P4mm space group. The covalent bonds in perovskite CsPbBr₃ formed by…