Investigation of Electronic and Band Structures of CdBr2 by DFTP Method

Cadmium bromide (CdBr2) crystallizes in the CdCl2-type structure with the space group D53d,belonging to the divalent metal halide crystals with layer structure .The crystal of this type has a layered structure composed of hexagonally close-packed doublesheets of halogen ions with the small metallic cations in the interstices of this packing[1-3]. The lattices of these complicated crystals are strongly anisotropic[4]. Cadmium bromide is used in lithography, engraving, and in the manufactureof photographic film [5]. Cadmium bromide is known as a photochromic crystal and is widely used as window for Infrared applications[6]. In this paper we calculated the CdBr2 structure properties for example lattice constant bulk module and volume optimization. The calculation have been performed using PWscf method in the framework of density functional theory perturbation by Espresso package[7]. The calculation is good agreement with other results[8].