Investigation of partial band structure and joint states electrons in semi conductor CdCl2 using DFT

The crystal structure of CdCl2 is a layer structure. A metallic ion is surrounded by six chlorine ions octahedrally and is immersed in a trigonal field parallel to the c axis [1]. In this paper, the band structure and joint states of CdCl2 are calculated and studied. The calculations were performed using a Full Potential Linearized Augmented Plane wave (FP-LAPW) method in the framework of density functional theory (DFT) with the generalized gradient approximation (GGA) [2, 3].The calculated the band structure and joint states are in good agreement with fundamental principal.