Investigation of the Optical Spectra and Spin-Hamiltonian Parameters for Vanadyl in Zinc Phosphate Glass

Abstract

The optical absorption spectra and spin-Hamiltonian parameters (g factors g||, g⊥, and hyperfine structure constants A||, A⊥ ) of vanadyl in zinc phosphate glass are investigated, using the high-order perturbation formulas for a 3d1 ion in tetragonally compressed octahedra. In the calculations, the required crystal-field parameters are estimated from the superposition model, and the optical absorption bands and spin-Hamiltonian parameters are linked with the tetragonal distortion (characterized by ΔR = R⊥ – R||, where R⊥ and R|| denote the bond lengths perpendicular and parallel to the C4 axis). Based on the calculations, the tetragonal distortion ΔR (≈1.795 A) was obtained, and negative signs of the hyperfine structure constants A|| and A⊥ are suggested.