Investigating Possibility of CrSb Application in Spintronic by Theoretical Calculation of Electronic and Magnetic Properties Related to Spin of CrSb Base on Ab-Initio Calculations

In this article, the theoretical study about structure of spin electron bands and magnetic properties of Bulk CrSb in ZinceBlende structure have been considered according to density functional theory by using LSDA approximation for exchange-correlation energy and potential calculations using FP-LAPW method by theoretical calculation of electronic band structure, spin energy bands, total and partial states density, electronic charge density of atoms at (110) and (100) crystalline plane. In this calculation, the degree of spin polarization and the total energy of bulk state are also studied by considering magnetic coupling between Cr spins and its neighbors. The results indicate that Cr by positive local magnetic momentum cause to arising total magnetic momentum equals to 3.0000?B in a unit cell, which confirm by a theoretical rule known as Rule of 8, too. This material completely shows metallic proper- ties in up spin, energy bands of up spin have cut Fermi surface, so valence electrons with up spin can easily move from valence band to conduction band. But at down spin, valence bands were separated from conduction bands by indirect gap equals to 1.64377 eV, that indicates the clear characteristic of a nonconductor, therefore in this material only electrons with up spin participate in density of Fermi surfaceʹs states and appearance of metal property, CrSb can be considered as a half metal, in general the total density of up and down spin states also proves this result and CrSbʹs half metallic property and introduces its electronic properties related. PACS: 63.10.+a; 67.30.er; 67.30.hj