Abstract
The electron paramagnetic resonance (EPR) parameters (g ‖ andg ⊥ factors and hyperfine structure constantsA ‖,A ⊥) for Co2+ in Ca(OH)2 are studied from the second-order perturbation formulas on the basis of the cluster approach. In these formulas, the contributions to EPR parameters from the state interactions and covalency effects are considered and the parameters related to both effects are obtained from the optical spectra and impurity structure of the studied system. From the study, it is found that the β angle between the metal-ligand bond and the C3 axis changes from 61° in a pure crystal to 53.68(26)° in the impurity center of a Co2+-doped Ca(OH)2 crystal because of the impurity-induced local lattice relaxation. The reduction of the angle β in the impurity center is also supported by the result obtained by analyzing the EPR zero-field splitting for Mn2+ in the same Ca(OH)2 crystal. The EPR parameters of Ca(OH)2:Co2+ are also reasonably explained by considering the suitable local lattice relaxation.
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Wu, S.Y., Zheng, W.C., Dong, H.N. et al. Investigations of EPR parameters and impurity structure for Co2+ in Ca(OH)2 crystal. Appl. Magn. Reson. 25, 201–207 (2003). https://doi.org/10.1007/BF03166684
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DOI: https://doi.org/10.1007/BF03166684