Theoretical studies on the g factors, optical absorption, and their concentration variations for Mo5+ in 40PbO-(10-x)Y2O3-50P2O5:xMoO3 glass

On the basis of the higher order perturbation formulas of g factors for a 4d(1) group in tetragonally compressed octahedra, the g factors, optical absorption, local structure, and their concentration dependences of pentavalent molybdenum in 40PbO-(10 - x)Y2O3-50P(2)O(5):xMoO(3) (1 <= x <= 5 mol%) glass are uniformly investigated. The experimental optical absorption spectra and g factors for Mo5+ at various concentrations x are reasonably regenerated by using the reasonable exponential concentration functions of the cubic field parameter D-q, covalent factor N, and relative tetragonal compression ratio rho. The tetragonal compression ratio rho due to the Jahn-Teller effect was found in the range of 3.8% to 4.2%. The decreasing trend of D-q and N and the increasing trend of rho with concentration can be interpreted as the fact that the variations of MoO3 and Y2O3 concentrations lead to the modulations of local structure and electron cloud distribution around Mo5+, associated with the adjustment of the glass network. The concentration dependence of optical basicity is also analyzed for the above glass systems.