Investigations of the Spin Hamiltonian Parameters and the Local Structures of the Substitutional V⁴⁺ Centres in Rutile-Type MO₂ (M = Sn, Ti, Ge)

Abstract

The spin Hamiltonian parameters and the local structures of the substitutional V4 + centres in rutiletype MO 2 (M = Sn, Ti and Ge) are theoretically investigated from the perturbation formulas of these parameters for a 3d 1 ion in a rhombically compressed octahedron. The oxygen octahedra around V4 + are found to transform from the original elongation on the host M 4+ site to compression in the impurity centres due to the Jahn-Teller effect. The calculated spin Hamiltonian parameters based on the above local structures show good agreement with the experimental data.