Optical characteristics of ZnTe1−xOx alloys from first-principles calculations

We report the optical and dielectric properties of ZnTe1−xOx ternary alloys in the zinc-blende structure. The calculations are performed using the full potential linearized augmented plane wave (FP-LAPW) method within the density functional theory (DFT) in the generalized gradient approximation (GGA) of Engel–Vosko. Features such as optical response function, spectral dependence of refractive index and the reflectivity spectrum as well as their dependence on oxygen concentration have been studied. The agreement between our results and data available in the literature is reasonably good. The present study spans very important technological visible/ultraviolet spectral region.