In this study, we explore the stability, electronic and optical characteristics of copper-based perovskites \({{CuSrX}}_{3}\) (X = F, Cl, Br and I), using the generalized gradient approximation Perdew Burke Ernzerhof for solids (GGA-PBEsol) and the Full Potential Linearized Enhanced Plane Wave Method (FP-LAPW) based on Density Functional Theory (DFT). Taking into account the effect of the spin orbit-coupling on energy gaps, our investigation of their electronic properties such as the band structure and density of states shows that these materials have indirect gaps namely 0.80, 0.45 and 0.63 eV for \({{CuSrCl}}_{3}\) , \({{CuSrBr}}_{3}\) and \({{CuSrF}}_{3}\) , respectively. The calculations of the optical parameters, such as the absorption coefficient (α) and the complex optical conductivity (σ) show that all these perovskites have very high absorption values mainly in the visible region running between 8 × 104 and 35 × 104 cm−1. They also exhibit a wide range of optical conductivity in the range of 105–265 nm. Consequently, due to their stability, they are promising candidates for photovoltaic and optoelectronic applications.
