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    Theoretical investigation of the g factor in RX:V2+ (R=Na,K,Rb;X=Cl,Br)

    Du Maolu

    • CCAST (World Laboratory), P.O. Box 8730, Beijing 10080, People’s Republic of China
    • Institute of Solid State Physics, Sichuan Normal University, Chengdu 610066, People’s Republic of China

    Phys. Rev. B 46, 5274 – Published 1 September, 1992

    DOI: https://doi.org/10.1103/PhysRevB.46.5274

    Abstract

    This paper presents a cluster approach to the calculation of the g factor in RX:V2+ (R=Na,K,Rb;X=Cl,Br), in which not only the contribution due to the spin-orbit coupling of the central transition-metal ion but also that of the ligands are included. The calculated results agree well with the available experimental data. The results show that the contribution to the g shift due to the spin-orbit coupling of the ligands is small in RCl:V2+ but is about 80% of that of the central transition-metal ion in RBr:V2+. It suggests that the calculation of the g factor in some covalent crystals containing transition-metal ions should prefer the cluster approach over the classical crystal-field model, which accounts for only the contribution due to the spin-orbit coupling of the central transition-metal ion.

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