Band Structures, Magnetism, Half-metallicity and Elastic Properties of Full-Heusler Alloy Cr2VSb

In this study, we investigated the structural, electronic, magnetic and elastic properties of the full-Heusler Cr2VSb alloy in the framework of density functional theory with generalized gradient approximation (GGA). The calculated results showed that the Cr2VSb alloy is a half-metallic material at the equilibrium of lattice parameter a= 6.136 angstrom, with a lattice-parameter limit of 5.936 -6.286 angstrom. The magnetic moments of the Cr2VSb alloy follow the relationship M-t = (Z(t) - 24)mu(B). The full-Heusler Cr2VSb alloy is a ductile alloy and anisotropic material.