The defect structure and EPR parameters for Er3+ in molybdates: a complete energy matrices study

In this paper, we develop a complete energy matrices approach investigating the defect structure and EPR parameters ( , , and ) for Er 3+ in molybdates. In this approach, the crystal-field parameters used in the calculations are determined from the superposition model and the structural data for tet...

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Bibliographic Details
Published in:Molecular physics 2012-12, Vol.110 (24), p.3023-3029
Main Authors: Li, Cheng-Gang, Kuang, Xiao-Yu, Chai, Rui-Peng, Zhao, Ya-Ru
Format: Article
Language:English
Subjects:
complete energy matrices
defect structure
Defects
EPR parameters
superposition model
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Summary:In this paper, we develop a complete energy matrices approach investigating the defect structure and EPR parameters ( , , and ) for Er 3+ in molybdates. In this approach, the crystal-field parameters used in the calculations are determined from the superposition model and the structural data for tetragonal distortion. The local distortion angles Δθ = −1.628°, Δθ = −1.843° and Δθ = −2.874° are obtained for Er 3+ in SrMoO 4 , PbMoO 4 and CaMoO 4 crystals, respectively. Moreover, the influence of the orbital reduction factor k and the local distortion angle Δθ on the EPR parameters is analyzed.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268976.2012.695026