材料期刊网

The spin Hamiltonian parameters and the local structures of the substitutional V(4+) centres in rutile-type 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 V(4+) are found to transform from the original elongation on he host M(4+) site to compression in the impurity centres due to the Jahn-Teller effect. The calculated spin Hamiltonian parameters based oil the above local structures show good agreement with the experimental data.