SciELO - Scientific Electronic Library Online

vol.40 número3Influence of process parameters on the growth of pure-phase anatase and rutile TiO2 thin films deposited by low temperature reactive magnetron sputteringBlue thermoluminescence emission of annealed lithium rich aluminosilicates índice de autoresíndice de assuntospesquisa de artigos
Home Pagelista alfabética de periódicos  

Serviços Personalizados




Links relacionados


Brazilian Journal of Physics

versão impressa ISSN 0103-9733


LIN, Ji- Zi. Theoretical studies of the local structure and the EPR parameters for substitutional Mo5+ in TiO2. Braz. J. Phys. [online]. 2010, vol.40, n.3, pp.344-347. ISSN 0103-9733.

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.

Palavras-chave : Electron paramagnetic resonance (EPR); Crystal- fields and spin hamiltonians; Mo5+; Rutile(TiO2).

        · texto em Inglês     · Inglês ( pdf epdf )


Creative Commons License Todo o conteúdo deste periódico, exceto onde está identificado, está licenciado sob uma Licença Creative Commons