The Effect of Spin-Orbit Coupling on the Electronic Structures and Half-Metallicity of Heusler Compounds: V₂ReZ (Z=Al, Ga, ln)

Abstract:

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 e_g and t_1u states near the Fermi level are not sensitive to the SOC. The t_2g states composed of the side of half-metallic gap are sensitive to the SOC. The dispersivity of t_2g states 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.

• Periodical: Advanced Materials Research (Volume 683)
• Pages: 211-217
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.683.211
• Online since: April 2013
• Authors: Hong Ying Jia, Xue Fang Dai, Li Ying Wang, Fang Wang, Lei Chen, Xiao Chuang Liu, Guo Dong Liu
• Keywords: Half-Metallicity, Heusler Compounds, Spin-Orbit Coupling

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