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



Document title: Theoretical studies of the local structure and the epr parameters for tetragonal Cu2+ center in mixed alkali cadmium phosphate glasses
Journal: Revista mexicana de física
Database: PERIÓDICA
System number: 000425397
ISSN: 0035-001X
Authors: 1
1
1
1
1
Institutions: 1Jiangsu University of Science and Technology, Department of physics, Nantong. China
Year:
Season: Jul-Ago
Volumen: 62
Number: 4
Country: México
Language: Inglés
Document type: Artículo
Approach: Analítico, teórico
English abstract 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
Disciplines: Física y astronomía
Keyword: 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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