The Effect of Spin-Orbit Coupling on the Electronic Structures and Half-Metallicity of Heusler Compounds: V2ReZ (Z=Al, Ga, ln)
We have studied the influence of spin-orbit coupling (SOC) on the electronic structures and half-metallicity for the V2ReZ (Z=Al, Ga, In) compounds. It was found that the SOC has a slight influence on the whole configuration of the electronic structure and the degenerated states were split into several singlet states at the high-symmetry points. The egand t1ustates near the Fermi level are not sensitive to the SOC. The t2gstates composed of the side of half-metallic gap are sensitive to the SOC. The dispersivity of t2gstates was strongly reduced, which lead to an increase of the valence electron effective mass and the width of half-metallic gap. The SOC can slightly increase the spin splitting of Re and V(B) atoms. The Z atom has an influence on the intensity of SOC to act on half-metallic gap.