Calculation of the g Factors and Local Angular Distortions for ZnO:Cu2+ Nanocrystals With Various Copper Concentrations
| Autor: | Guo-Liang Li, Bao-Hua Teng, Shao-Yi Wu, Xian-Fen Hu, Ming-He Wu |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
010302 applied physics
Materials science Isotropy chemistry.chemical_element 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Oxygen Copper Molecular physics law.invention Nuclear magnetic resonance Molecular geometry Nanocrystal chemistry law 0103 physical sciences Tetrahedron Cluster (physics) 0210 nano-technology Electron paramagnetic resonance Spectroscopy |
| Zdroj: | Journal of Applied Spectroscopy. 83:374-378 |
| ISSN: | 1573-8647 0021-9037 |
| DOI: | 10.1007/s10812-016-0297-y |
| Popis: | Based on the perturbation treatments for a tetragonally distorted tetrahedral 3d 9 cluster, the g factors and local angular distortions are calculated for ZnO:Cu2+ nanocrystals with various Cu2+ concentrations in different systems I and II under dissimilar experimental conditions. Because of the dynamic Jahn–Teller effect, the bond angles θ between the four equivalent Cu2+–O2– bonds and the C4 axis are about 1.5o larger than that (θ0 ≈ 54.736o) of an ideal tetrahedron. Consequently, the original slightly trigonally distorted oxygen tetrahedron of the host Zn2+ site is transformed into a tetragonally compressed one. The isotropy of g factors may be attributed to the appropriate angular distortions Δθ = θ – θ0 due to the dynamic Jahn-Teller effect. The slightly increasing (or decreasing) g factors with concentration x can be illustrated as the delicate increases (or decreases) of the angular distortions (Δθ) and the covalency factors (N) for system I (or II), respectively, under almost equivalent crystal-fi eld strengths (Dq). |
| Databáze: | OpenAIRE |
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