Abstract
The electron paramagnetic resonance(EPR) parameters g-factors gi(i = x,y,z) and the hyperfine structure constants Ai for the substitutional Mo5+ in rutile are theoretically studied from the perturbation formulas of these parameters for a d1 ion in a rhombically compressed octahedron. On the basis of the studies, The oxygen octahedron around Mo5+ is found to transform from the original elongation on the host Ti4+ site to compression in the impurity center due to the Jahn-Teller effect. The calculated EPR parameters based on the above local structure in this work are in good agreement with the experimental data.
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