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

摘要

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.View full textDownload full textKeywordscomplete energy matrices, superposition model, EPR parameters, defect structureRelated var addthis_config = { ui_cobrand: "Taylor & Francis Online", services_compact: "citeulike,netvibes,twitter,technorati,delicious,linkedin,facebook,stumbleupon,digg,google,more", pubid: "ra-4dff56cd6bb1830b" }; Add to shortlist Link Permalink http://dx.doi.org/10.1080/00268976.2012.695026