Theoretical investigations of the EPR g factors and the local structure for Er3+ in BaWO4.
The electron paramagnetic resonance (EPR) parameters g factors g(parallel) and g(perpendicular) as well as the local structure for Er3+ in scheelite-type BaWO4 are theoretically investigated by using the perturbation formulas of the EPR parameters for a 4f11 ion under tetragonal symmetry. In these formulas, the contributions to the EPR parameters arising from the second-order perturbation terms and the admixture of different states are included. It is found that the impurity-ligand bonding angles (or the polar angles) related to the fourfold axis in the tetragonal Er3+ center are about 1.5 degrees smaller than those in pure crystal. The calculated EPR parameters are in agreement with the observed values. The validity of the results is discussed.
Wu
Shao-Yi
SY
Department of Applied Physics, College of Physical Electronics, University of Electronic Science and Technology of China, Chengdu, PR China. wushaoyi@netease.com
Dong
Hui-Ning
HN
D017609:Barium Compounds / Q000737:chemistry*; D003460:Crystallization; D004578:Electron Spin Resonance Spectroscopy; D004871:Erbium / Q000737:chemistry*; D008903:Minerals / Q000737:chemistry; D015394:Molecular Structure; D010087:Oxides / Q000737:chemistry*
D017609:Barium Compounds; D008903:Minerals; D010087:Oxides; D004871:Erbium