Theoretical studies of the local structure and the epr parameters for tetragonal Cu2+ center in mixed alkali cadmium phosphate glasses



Título del documento: Theoretical studies of the local structure and the epr parameters for tetragonal Cu2+ center in mixed alkali cadmium phosphate glasses
Revue: Revista mexicana de física
Base de datos: PERIÓDICA
Número de sistema: 000425397
ISSN: 0035-001X
Autores: 1
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Instituciones: 1Jiangsu University of Science and Technology, Department of physics, Nantong. China
Año:
Periodo: Jul-Ago
Volumen: 62
Número: 4
País: México
Idioma: Inglés
Tipo de documento: Artículo
Enfoque: Analítico, teórico
Resumen en inglés The local structure of the Cu2+ center in mixed alkali cadmium phosphate (10Li2O-10Na2O-20CdO-59.5P2O5) glass is theoretically investigated from the optical spectral data and high-order perturbation formulas of the electron paramagnetic resonance (EPR) parameters (g-factors g║,g┴ and the hyperfine structure constants A║,A┴ ) for a 3d9 ion in a tetragonally elongated octahedron. In these formulas, the ligand orbital and spin-orbit coupling contributions are taken into account based on the cluster approach in view of moderate covalency. The required crystal-field parameters are determined by the superposition model. According to the calculations, the impurity-ligand distances parallel and perpendicular to the C4 axis of [CuO6] 10- cluster are found to be, respectively, R ║ ≈2.051 Å and R ┴ ≈ 2.029 Å due to Jahn-Teller effect. Based on the above local structure data, the optical spectra are satisfactorily interpreted. The signs of A║ and A┴ for the Cu 2+ center are suggested in the discussion
Disciplinas: Física y astronomía
Palabras clave: Física,
Giros,
Vasos de fosfato
Keyword: Campos de cristal,
Resonancia electrónica paramagnética,
Spin hamiltonians,
Crystal fields,
Electron paramagnetic resonance,
Phosphate glass
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