Investigations on the local structure and the spin Hamiltonian parameters for Cu2+ in xCuO-(68-x)V2 O5 -32TeO2 glasses
© 2022 John Wiley & Sons, Ltd.
| Veröffentlicht in: | Magnetic resonance in chemistry : MRC. - 1985. - 61(2023), 1 vom: 08. Jan., Seite 40-48 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2023
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| Zugriff auf das übergeordnete Werk: | Magnetic resonance in chemistry : MRC |
| Schlagworte: | Journal Article electron paramagnetic resonance local structure |
| Zusammenfassung: | © 2022 John Wiley & Sons, Ltd. The defect structure, spin Hamiltonian parameters (SHPs: anisotropic g factors g ‖ and g ⊥ and the hyperfine structure constants A ‖ and A ⊥ ), and their compositional dependence of Cu 2 + in x CuO - ( 68 - x ) V 2 O 5 - 32 TeO 2 ( x = 5, 10, 20, 30 mol%) glasses are quantitatively analyzed by using the higher-order perturbation formula of octahedral complex with tetrahedral elongation distortion. Due to the Jahn-Teller effect, the [ CuO 6 ] 10 - group is subjected to tetragonal elongation distortion of varying degrees. D q , N , ρ , κ , and H show nonlinear changes with the concentrations of Cu 2 + . When x = 10 mol% CuO, the degree of distortion ( ρ ≈ 0 . 1 % ) is the smallest; when x = 30 mol% CuO, the degree of distortion ( ρ ≈ 15 % ) is the largest, which indicates that excessive distortion leads to the appearance of Z -axis oxygen vacancies and the coordination number of copper ions from six to four. The increasing tendency of the evaluated N and H reveals decreasing covalency of the whole glass system. Present theoretical studies would be useful to the explore the structural properties and optical applications of glass with different CuO concentrations |
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| Beschreibung: | Date Revised 06.12.2022 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
| ISSN: | 1097-458X |
| DOI: | 10.1002/mrc.5319 |