Theoretical analysis on strontium-tellurium content dependencies of defect structures and spin Hamiltonian parameters for strontium-tellurium titanium borate glasses with V₂O₅ dopants

Abstract

Based on the perturbation formulae of the spin Hamiltonian parameters (SHPs) for a tetragonally compressed octahedral 3d¹ cluster, the defect structures and SHPs of V⁴⁺ in strontium-tellurium borate ((30-x)SrO-xTeO₂-10TiO₂-58B₂O₃-2V₂O₅ at distinct TeO₂ contents x = 1, 2, 3, 4 and 5 mol %) glasses are systematically investigated. The involved model quantities (i.e. covalent factor N, tetragonal compression ratio τ, core polarization constant κ and reduction factor H) at various x reasonably reproduce the experimental SHPs, and these quantities are further fitted with uniform Fourier-type content functions (FTCF) with merely three adjusted parameters. The different content fluctuations of these quantities are ascribed to content declines of the strong network modifier SrO and hence the modulations in local tetragonal compression, system compactness and electron cloud distribution near vanadium in the glass network.

GRAPHICAL ABSTRACT

KEYWORDS:

• STTBV lasses
• defective structures
• transition-metal
• spectral analysis
• Fourier-type content function

Acknowledgments

This work is financially supported by the major project of CDNU (No.CS18ZDZ0511).

Disclosure statement

No potential conflict of interest was reported by the author(s).