材料期刊网

In this paper, we develop a complete energy matrices approach investigating the defect structure and EPR parameters (g(parallel to), g(perpendicular to), A(parallel to) and A(perpendicular to)) 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 Delta theta = -1.628 degrees, Delta theta 1.843 degrees and Delta theta 2.874 degrees 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 Delta theta on the EPR parameters is analyzed.