First-principles study of dielectric properties and optical conductivity of Cd1−xMnxTe

• Optical response functions and their derived reflectivity spectrum of Cd1−xMnxTe.
• Absorption coefficient and optical conductivity of Cd1−xMnxTe.
• Optical and dielectric properties of Cd1−xMnxTe magnetic semiconductors.
• Application of generalized gradient approximation of Engel–Vosko to the density functional theory.

The optical response functions and their derived reflectivity spectrum, the absorption coefficient and the optical conductivity are calculated for zinc-blende-structured Cd1−xMnxTe with Mn concentration in the range 0–1. The evolution of the optical spectra with increased Mn concentrations is examined and discussed. The calculations are performed within the generalized gradient approximation of Engel–Vosko to the density functional theory, and the one-electron equations are solved by means of the full potential linearized augmented plane wave method. Generally, our results are found to be in reasonable agreement with the available experimental and theoretical data reported in the literature.