The effect of zinc concentration upon electronic structure, optical and dielectric properties of Cd1− xZnxTe alloy: TB-mBJ investigation

This data set is results of structural, electronic and optical properties of Cd1-xZnxTe alloy in zinc blend structure. The calculation carried out based on DFT method within Tb-mbj potential. The lattice parameter a0, bulk modulus B, energy gaps Eg, dielectric function e(w), refractive index n(0), static dielectric constant E1(0), and the reflection coefficient R(0) have been determined and their variation as a function of zinc concentration has been analyzed and discussed.