Theoretical studies of the optical and EPR spectra for V 3+ in Y 2O 3 crystal

Abstract

In this paper, we give an alternative suggestion that both the observed optical and electron paramagnetic resonance (EPR) spectra of Yttrium oxide (Y 2O 3):V 3+ are attributed to V 3+ ions at the S 6 site of Y 2O 3. This suggestion is different from the opinion in the previous paper that the optical and EPR spectra are attributed to V 3+ ions at the C 2 and S 6 sites, respectively. From the suggestion, the optical band positions and spin-Hamiltonian parameters are calculated by diagonalizing the complete energy matrix for 3d 2 ions in trigonal symmetry. The results are in good agreement with the experimental values, suggesting that both the observed optical and EPR spectra in Y 2O 3:V 3+ may be due to V 3+ at S 6 site of Y 2O 3 crystal.