Electronic, Magnetic and Optical Properties of V2ScX (Z = Ga, In) Full-Heusler Compounds

Using the density functional theory and generalized gradient approximation, the electronic, magnetic and optical properties of V2ScX (X = Ga, In) have been investigated. The results show that the V2ScIn is a half-metallic ferromagnet and preserved its half-metallicity in the relatively larger lattice constants. This compound has half-metallic gap of 0.45 eV. V2ScIn is suitable for spintronic applications. V2ScGa compound shows metallic behavior. These full-Heusler compounds follow the Slater-Pauling rule and have the integer total magnetization. The Curie temperature of V2ScGa and V2ScIn were estimated to be 341 and 496 K respectively. The results of investigating the optical properties show that these compounds are good candidates to absorb waves.