Abstract
The optical spectrum and electron paramagnetic resonance (EPR) parameters (gyromagnetic g factor and hyperfine structure constant A) for CdTe:V3+ have been calculated using the modified crystal-field theory. In this theory, the covalency factors Nt , Ne and the two spin-orbit (SO) coupling coefficients ζd, ζp are included in T d symmetry. The calculated optical spectrum and EPR parameters agree reasonably well with the experimental values. In addition, the calculated results show that the contribution from the ligand Te2− to the EPR parameters cannot be neglected because the ligand Te2− possesses a large SO coupling coefficient and strong covalency.
Acknowledgements
This work was partially supported by the Foundation of Chongqing University of Technology (Nos. 2008ZQ12, 2009ZD09) and the Term of Science and Technology of Chongqing Education Committee (No. KJ090608).