Unified calculations of optical and EPR data for Cu super(3+) ion in Al sub(2)O sub(3) crystal

The optical band positions and EPR parameters (g factors g sub(), g sub([bottom]) and zero-field splitting D) for Cu super(3+) ion in Al sub(2)O sub(3) crystal are calculated by using the complete diagonalization (of energy matrix) method based on the two-spin-orbit-parameter model. In the model, bo...

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Bibliographic Details
Published in:Journal of magnetism and magnetic materials 2015-03, Vol.377, p.190-192
Main Authors: Feng, Wen-lin, Zheng, Wen-Chen, Xue, Ji-Yuan, Zhao, Fen
Format: Article
Language:English
Subjects:
Aluminum oxide
Crystal defects
Crystals
Energy use
Ligands
Magnetism
Mathematical models
Spectra
Splitting
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Summary:The optical band positions and EPR parameters (g factors g sub(), g sub([bottom]) and zero-field splitting D) for Cu super(3+) ion in Al sub(2)O sub(3) crystal are calculated by using the complete diagonalization (of energy matrix) method based on the two-spin-orbit-parameter model. In the model, both the contribution to the spectral data from the spin-orbit parameter of central 3d super(n) ion and that of ligand ion are contained. The calculated results show reasonable agreement with the experimental values. The defect structure of Cu super(3+) impurity center is estimated from the calculations.
ISSN:0304-8853
DOI:10.1016/j.jmmm.2014.10.075