Theoretical studies on the concentration dependences of optical spectra and spin Hamiltonian parameters for V4+ in CdO–SrO–B2O3–SiO2 glasses

Abstract

The optical absorption spectra, spin Hamiltonian parameters (SHPs, g factors and hyperfine structure constants) and their concentration dependences for impurity V4+ in 10CdO-(20-x)SrO–50B2O3–20SiO2–xV2O5 (x = 0.5, 1, 1.5, 2, 2.5 mol%) glasses are theoretically studied based on the perturbation formulas of these parameters for a tetragonally compressed octahedral 3 d1 cluster. The measured optical transition bands and SHPs for V4+ in CdO-(20-x)SrO–B2O3–SiO2–xV2O5 glasses at various V2O5 concentrations x can be suitably reproduced by using the reasonable cubic concentrations functions for the related model quantities (i.e., cubic field parameter Dq, covalency factor N, relative tetragonal compression ratio ρ, core polarization constant κ and reduction factor H). The impurity V4+ center is found to suffer the relative tetragonal compression ratio by about 4–6% of the Jahn-Teller nature. In view of possible applications of these glass systems in various fields such as optics, chemistry, medicine and industry, present studies would be helpful for the explorations of structures and properties for CdO–SrO–B2O3–SiO2 and similar glasses as well as the enhancement of the properties containing transition-metal dopants at distinct concentrations.