Theoretical studies of the EPR parameters for Ni2+ and Co+ in MgO
The electron paramagnetic resonance (EPR) parameters (g factors and the hyperfine structure constants) for Ni2+ and Co+ in MgO are theoretically studied from the perturbation formulas of these parameters for a 3d8 ion in octahedral crystal-fields. In the computations, the ligand orbital and spin-orbit coupling contributions are taken into account using the cluster approach. The calculated EPR parameters are in good agreement with the experimental data. The larger g factor and the smaller magnitude of the hyperfine structure constant for Ni2+ as compared with those for Co+ can be attributed to the higher spin-orbit coupling coefficient and the lower dipolar hyperfine structure parameter of the former, respectively.
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| Main Authors: | , , , |
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| Format: | Digital revista |
| Language: | English |
| Published: |
Sociedade Brasileira de Física
2010
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| Online Access: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332010000300020 |
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