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

H Li, XY Kuang, AJ Mao, CG Li - … Acta Part A: Molecular and Biomolecular …, 2013 - Elsevier
H Li, XY Kuang, AJ Mao, CG Li
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013Elsevier
The local lattice structure and electron paramagnetic resonance (EPR) spectra have been
studied systematically by diagonalizing 364× 364 complete energy matrices for a f11 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 Er3+ ions in BaF2 and SrF2.
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 …
The local lattice structure and electron paramagnetic resonance (EPR) spectra have been studied systematically by diagonalizing 364×364 complete energy matrices for a f11 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 Er3+ ions in BaF2 and SrF2. 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 BaF2:Er3+ and 0.026Å for J center in SrF2:Er3+, respectively. Moreover, the relationships between g-factors and shift parameter ΔZ as well as orbit reduction factor k′ are discussed.
Elsevier
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