Theoretical studies on the g factors, optical absorption, and their concentration variations for Mo5+ in 40PbO-(10 - x)Y2 O3 -50P2 O5 :xMoO3 glass.

Abstract

On the basis of the higher order perturbation formulas of g factors for a 4d1 group in tetragonally compressed octahedra, the g factors, optical absorption, local structure, and their concentration dependences of pentavalent molybdenum in 40PbO-(10 - x)Y2 O3 -50P2 O5 :xMoO3 (1 ≤ x ≤ 5mol%) 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 Dq , covalent factor N, and relative tetragonal compression ratio ρ. The tetragonal compression ratio ρ due to the Jahn-Teller effect was found in the range of 3.8% to 4.2%. The decreasing trend of Dq and N and the increasing trend of ρ with concentration can be interpreted as the fact that the variations of MoO3 and Y2 O3 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.