Ab-Initio Investigation of the Structural, Electronic, Mechanical, and Optical Properties of KZnX3 (X = Cl, Br) Perovskites, Using TB-mBJ
The structural, mechanical, and optoelectronic properties of cubic halide perovskites KZnX3 (X = Cl, Br) were investigated using density functional theory (DFT) within the full-potential linearized augmented plane wave (FP-LAPW) method, as implemented in the WIEN2k software. The optoelectronic properties were further e...