Study of the electron paramagnetic resonance spectra of vanadyl doped zinc phosphate glass

In this work, a full ligand-field energy matrix diagonalization treatment for 3d(1) ions in tetragonal symmetry is developed on the basis of the two-s.o.-coupling-parameter model, and the contributions of the spin-orbit coupling of the ligand ions to the optical and EPR spectra are included. Spin Hamiltonian parameters (g factors and hyperfine structure constants) of the tetragonal V4+ center in zinc phosphate glass are calculated from the complete energy matrix diagonalization method and the perturbation theory method. The calculated results from both methods are not only close to each other but also in good agreement with the experimental values. Furthermore, the compressed defect structure of V4+ center is discussed. (C) 2010 Elsevier B.V. All rights reserved.