ملخص: Full Potential Augmented Plane Wave plus local orbital method ( FAPW+lo) calculations were performed for ZnSiP2, ZnGeP2, and ZnSnP2 in the chalcopyrite structure in order to investigate the optical properties and to show the origin of the different optical transitions and their correspondence in the band structure. It is found that the most important features of the band gap is pseudo-direct for ZnSiP2, indirect for ZnGeP2, and direct for ZnSnP2. Then the contribution of the different transitions peaks are analyzed from the imaginary part of the dielectric function and the reflectivity spectra.

لغة: إنجليزية