Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2013-02-01

Studies of EPR spectra and defect structure for Er³⁺ ions in BaF₂ and SrF₂ crystals.

Hui Li, Xiao-Yu Kuang, Ai-Jie Mao, Cheng-Gang Li

Index: Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 102 , 169-74, (2013)

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Abstract

The local lattice structure and electron paramagnetic resonance (EPR) spectra have been studied systematically by diagonalizing 364 × 364 complete energy matrices for a f(11) ion in a trigonal ligand-field. By simulating the calculated Stark levels and EPR parameters to the experimental results, the shift parameters are determined for Er(3+) ions in BaF(2) and SrF(2). The results show that the trigonal center is attributed to an interstitial F(-) ion located at the [111] axis of the cube, and the nearest ligand close to the charge compensator has a displacement towards central ion by 0.042Å for L center in BaF(2):Er(3+) and 0.026Å for J center in SrF(2):Er(3+), respectively. Moreover, the relationships between g-factors and shift parameter ΔZ as well as orbit reduction factor k' are discussed.Copyright © 2012 Elsevier B.V. All rights reserved.