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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.

Investigations of the Spin Hamiltonian Parameters and the Local Structures of the Substitutional V 4+ Centres in Rutile-Type MO 2 (M = Sn, Ti, Ge)