Abstract
For the first time, the electronic and optical properties of the quaternary Be[Formula: see text]Mg[Formula: see text]Zn[Formula: see text]Se alloy have been investigated using first-principles calculations within the framework of density functional theory (DFT). Variations in the direct band gap with the change in [Formula: see text] and [Formula: see text] compositions show agreement with the experimental measurements. Evaluation of the dielectric function and refractive index reveals the optical activity in the visible and ultraviolet energy regions.