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

In this article, the theoretical study about structure of spin electron bands and magnetic properties of bulk crsb inzinceblende structure have been considered according to density functional theory by using lsda approximationfor exchange-correlation energy and potential calculations using fp-lapw method by theoretical calculation ofelectronic 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 bulkstate are also studied by considering magnetic coupling between cr spins and its neighbors. the results indicate thatcr by positive local magnetic momentum cause to arising total magnetic momentum equals to 3.0000ìb in a unitcell, which confirm by a theoretical rule known as rule of 8, too. this material completely shows metallic propertiesin up spin, energy bands of up spin have cut fermi surface, so valence electrons with up spin can easily movefrom valence band to conduction band. but at down spin, valence bands were separated from conduction bands byindirect gap equals to 1.64377 ev, that indicates the clear characteristic of a nonconductor, therefore in this materialonly electrons with up spin participate in density of fermi surface's states and appearance of metal property, crsbcan be considered as a half metal, in general the total density of up and down spin states also proves this result andcrsb's half metallic property and introduces its electronic properties related.