Electronic Structure and Optical Properties of Hexagonal CdSe, CdS, and ZnS

Abstract

Pseudopotential form factors and band structures are determined for CdSe, CdS, and ZnS. These band structures are then used to analyze the optical data for these crystals. The calculation confirms some earlier identifications of the optical structure in some cases, and causes new interpretations in other cases. In addition, some previously unidentified structure is explained. A calculation of the imaginary part of the dielectric function is given for hexagonal CdSe and ZnS.