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A theoretical study of concentration-dependent xCaF2-20TeO2-(79‒x)Na2B4O7-CuO glass: Local distortions, EPR parameters and optical properties.
- Source :
-
Journal of Non-Crystalline Solids . Aug2022, Vol. 590, pN.PAG-N.PAG. 1p. - Publication Year :
- 2022
-
Abstract
- The electron paramagnetic resonance parameters (EPR) and local structure properties of the Cu2+ center in xCaF 2 –20TeO 2 -(79-x)Na 2 B 4 O 7 -CuO glasses are theoretically studied based on the high-order perturbation formulae of a 3d9 ion in a tetragonally elongated octahedron. Determined from the best fitted piecewise linear function (the reverse point at 40 mol%), the corresponding overall varying tendencies and fluctuations of local distortions, EPR parameters and optical properties are reproduced, which can be ascribed to the generated non-bridging oxygen's. The microscopic mechanisms of the above concentration dependences for these quantities are illustrated from the transformation of BO 3 and TeO 3 units. Meanwhile, the electronic properties are obtained through the covalence parameters N and the decrease optical basicity, which both mean the decreasing covalency of the whole glass systems and strong ionicity around Cu2+. [ABSTRACT FROM AUTHOR]
- Subjects :
- *ELECTRON paramagnetic resonance
*OPTICAL properties
*GLASS
Subjects
Details
- Language :
- English
- ISSN :
- 00223093
- Volume :
- 590
- Database :
- Academic Search Index
- Journal :
- Journal of Non-Crystalline Solids
- Publication Type :
- Academic Journal
- Accession number :
- 157183680
- Full Text :
- https://doi.org/10.1016/j.jnoncrysol.2022.121680