Band Structures, Magnetism, Half-metallicity and Elastic Properties of Full-Heusler Alloy Cr<sub>2</sub>VSb
Chuang Wu, Wei Zheng, Wenjiang Feng, Wei Jiang
Abstract
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 Å, with a lattice-parameter limit of 5.936–6.286 Å. The magnetic moments of the Cr2VSb alloy follow the relationship Mt = (Zt − 24)μB. The full-Heusler Cr2VSb alloy is a ductile alloy and anisotropic material.
Topics & Concepts
AlloyMaterials scienceCondensed matter physicsLattice constantMagnetismAnisotropyDensity functional theoryLattice (music)Magnetic momentMetalPhysicsMetallurgyDiffractionQuantum mechanicsAcousticsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research