材料期刊网

The EPR g factors g(i) (i = x, y, z) for the interstitial Ti(3+) in rutile are theoretically studied from the perturbation formulas of these parameters for a 3d(1) ion in rhombically compressed octahedra. The ligand octahedron in the impurity center is found to be less compressed than that on the host interstitial site due to the Jahn-Teller effect. The local compression parameter (approximate to 0.026) and the rhombic distortion angle delta phi' (approximate to 0.7 degrees) around the impurity Ti(3+) are smaller than the host values (approximate to 0.091 and 3.5 degrees). The theoretical g factors based on the above local structural parameters are in good agreement with the experimental data. In addition, the g factors for a tetragonal interstitial Ti(3+) center are also reasonably interpreted.