Investigations on the local structure and the spin Hamiltonian parameters for Cu2+ in xCuO−(68−x)V2O5−32TeO2 glasses

The defect structure, spin Hamiltonian parameters (SHPs: anisotropic g factors g‖ and g⊥ and the hyperfine structure constants A‖ and A⊥), and their compositional dependence of Cu2+ in xCuO−(68−x)V2O5−32TeO2 ( x = 5, 10, 20, 30 mol%) glasses are quantitatively analyzed by using the higher‐order perturbation formula of octahedral complex with tetrahedral elongation distortion. Due to the Jahn–Teller effect, the [CuO6]10− group is subjected to tetragonal elongation distortion of varying degrees. Dq,N,ρ,κ, and H show nonlinear changes with the concentrations of Cu2+. When x = 10 mol% CuO, the degree of distortion ( ρ≈0.1%) is the smallest; when x = 30 mol% CuO, the degree of distortion ( ρ≈15%) is the largest, which indicates that excessive distortion leads to the appearance of Z‐axis oxygen vacancies and the coordination number of copper ions from six to four. The increasing tendency of the evaluated N and H reveals decreasing covalency of the whole glass system. Present theoretical studies would be useful to the explore the structural properties and optical applications of glass with different CuO concentrations. The concentration dependent of xCuO−(68−x)V2O5−32TeO2 glasses are studied by higher‐order perturbation formula, which show increase distortion around Cu2+ ion, characterized by decrease coordinated number of ligand O.