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- Title
Calculation of the g Factors and Local Angular Distortions for ZnO:Cu Nanocrystals With Various Copper Concentrations.
- Authors
Li, G.-L.; Wu, S.-Y.; Hu, X.-F.; Teng, B.-H.; Wu, M.-H.
- Abstract
Based on the perturbation treatments for a tetragonally distorted tetrahedral 3d cluster, the g factors and local angular distortions are calculated for ZnO:Cu nanocrystals with various Cu 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 Cu-O bonds and the C4 axis are about 1.5 larger than that (θ0 ≈ 54.736) 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 - θ 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).
- Subjects
ZINC oxide; COPPER; NANOCRYSTALS; GENERAL factor (Psychology); JAHN-Teller effect; BOND angles
- Publication
Journal of Applied Spectroscopy, 2016, Vol 83, Issue 3, p374
- ISSN
0021-9037
- Publication type
Article
- DOI
10.1007/s10812-016-0297-y