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    • Keywords


      Zero-field splitting; local structure; $V^{2+}$ ions.

    • Abstract


      The zero-field splitting and local structure for V2+ ions in CsMgX3 $(X = Cl, Br, I)$ crystals are theoretically investigated using complete diagonalization method (CDM) for a $3d^{3}$ ion in trigonal symmetry. Spin–spin (SS) and spin–other-orbit (SOO) interactions are taken into account in addition to the general spin–orbit (SO) interaction. On this basis, using ligand ion displacement model, we find that the ligand ions move away from $C_{3}$-axis, and therefore the local angles in the $V^{2+}$ centres are larger than the angles in the hosts. The results show good agreement with the observed values.

    • Author Affiliations


      Q Wei1 2 Q M Xu1 Z Y Yang2 D Y Zhang1 3 J G Zhang1

      1. College of Material Science & Engineering, Xi’an University of Architecture & Technology, Xi’an 710055, China
      2. Department of Physics, Baoji University of Arts and Science, Baoji 721007, Shaanxi, China
      3. School of Chemistry and Chemical Engineering, Guangxi University, Nanning 530 004, Guangxi, China
    • Dates

  • Pramana – Journal of Physics | News

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      Posted on July 25, 2019

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