Composition-dependent elastic modulus, vibration frequency and polaron properties of ZnSexTe1−x system

Using first-principles pseudopotential approach based on the density functional perturbation theory under the virtual crystal approximation, the compositional dependence of the elastic modulus, zone-center optical phonon modes, and polaron properties of the alloy system ZnSexTe1−x over the whole compositional range from pure ZnTe to pure ZnSe is presented and discussed. Generally, a reasonably good agreement is obtained between our results and the available experimental data for ZnTe and ZnSe parent compounds. Other case, our results are predictions and may serve for a reference for future work.