Theoretical Studies of the Local Structures and EPR Spectra for VO2+ in MB4O7 (M = Zn, Cd) Glasses |
| C.-Y. Li and X.-M. Zheng
School of Physics and Electronic Information, Shangrao Normal University, Shangrao Jiangxi 334000, P.R. China |
| Received: December 18, 2012; In final form: October 29, 2013 |
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| Electron spin resonance spectral parameters (g factors g∥, g⊥ and hyperfine structure constants A∥, A⊥) of a tetragonal V4+ centers in MB4O7 (M = Zn, Cd) are theoretically investigated by using the perturbation formulae for a 3 d1 ion in tetragonally compressed octahedra. In these formulae, the contributions to the g factors from the tetragonal distortion, characterized by the tetragonal field parameters Ds and Dt are taken into account by considering the local structures of the ligand octahedron around the V4+ due to the Jahn-Teller effect. Based on the calculations, the ligand octahedra around V4+ are suggested to suffer about 5.7% and 4.3% relative compression along C4 axis for MB4O7 glasses with M = Zn and Cd, respectively, and negative signs of the hyperfine structure constants A∥ and A⊥ for V4+ centers in MB4O7 glasses were suggested in the discussion. |
DOI: 10.12693/APhysPolA.125.73 PACS numbers: 76.30.Fc |