First-principle calculation of the optical properties of zinc-blende Zn1−xCdxSySe1−y

We present the results of density functional calculations to study the optical properties of the technologically important Zn1−xCdxSySe1−y quaternary alloy, using the full potential linearized augmented plane wave method within the local-density approximation (LDA). Our calculations were performed to evaluate the dielectric function (real and imaginary parts), and the loss function of the II–VI semiconductor alloy. Also the refractive index, reflectivity, optical conductivity, and absorption coefficient are all studied. The results are compared with calculated optical properties of binary alloys and the theoretical predictions are confirmed by the available experimental data. Our results show the possibility of material design to optimize the cladding active region in index guided lasers.