Abstract
In this paper, we develop a complete energy matrices approach investigating the defect structure and EPR parameters (, , and ) for Er3+ 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 Er3+ in SrMoO4, PbMoO4 and CaMoO4 crystals, respectively. Moreover, the influence of the orbital reduction factor k and the local distortion angle Δθ on the EPR parameters is analyzed.
Acknowledgements
The authors are grateful to the National Natural Science Foundation of China (Nos. 10974138 and 11104190) and the Doctoral Education Fund of the Education Ministry of China (Nos. 20100181110086 and 20110181120112).