A First Principle Study of Co2CrZ (Z=In, Sn, Sb) Based on FP-LAPW Method

Abstract

The structural and electronic properties of Heusler alloys Co2CrZ (Z=In, Sn, Sb) have been studied using the generalized gradient approximation (GGA) and local spin density approximation (LSDA), respectively. Among the systems under investigation, Co2CrSb gives 100 % spin polarization at E F . Co2CrSb is the most stable Half-Metallic Ferromagnets (HMFs) with an energy gap 0.25 eV at the Fermi level in the spin-down channel. We have also found that the increase in the total magnetic moment as Z goes from In to Sb. The calculated density of states (DOS) and band structures shows the half-metallic ferromagnets (HMF) character of Co2CrSb.