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

Author: Li Cheng-Gang   Kuang Xiao-Yu   Chai Rui-Peng   Zhao Ya-Ru  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.110, Iss.24, 2012-12, pp. : 3023-3029

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

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 ∆θ = −1.628°, ∆θ = −1.843° and ∆θ = −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 ∆θ on the EPR parameters is analyzed.