材料期刊网

The local structure and the g factors for the tetragonal Ru3+ center in PbTiO3 are theoretically studied from the perturbation formulas of the g factors for a 4d(5) ion in tetragonally distorted octahedra. From the studies, the distance between the impurity Ru3+ and the center of the oxygen octahedron is found to be about 0.283 angstrom, which is smaller than that (approximate to 0.3 angstrom) for the host Ti4+ site. It appears that the impurity may not occupy exactly the host Ti4+ site but suffer a slight inward shift toward the center of the oxygen octahedron. The calculated g factors based on the above local structure show good agreement with the experimental values.