Spectro-Mechanical Tensor Modelling of Alkali-Oxide-Doped Antimony Zinc Borate Glasses: A Mathematical Framework Bridging Vibrational Spectroscopy and Elastic Moduli

4 Jun

Authors: A. Rajesh, A. Jagram, D.Madhu

Abstract: A series of antimony zinc borate glasses with general composition (75−x)B₂O₃·10ZnO·10Sb₂O₃·5Li₂O·xM₂O (M = Li, Na, K; x = 0, 5, 10, 15 mol%) were synthesised by the conventional melt-quenching technique and characterised using FTIR, Raman spectroscopy, and ultrasonic velocity measurements. The infrared spectra reveal the coexistence of BO₃ trigonal units and BO₄ tetrahedral units, whose relative populations are governed by the alkali field strength. A rigorous mathematical framework employing Makishima–Mackenzie equations, elastic modulus tensors, and Smedskjaer network connectivity models is applied to correlate the spectral peak shifts with macroscopic mechanical parameters—Young’s modulus (E), bulk modulus (K), shear modulus (G), and Poisson’s ratio (ν). The N₄ structural parameter computed from FTIR deconvolution shows a linear correlation (R² = 0.987) with the elastic modulus. Results confirm that Li₂O-doped compositions exhibit superior mechanical rigidity due to enhanced network cross-linking through Li⁺ ion bridging.

DOI: https://doi.org/10.5281/zenodo.20545892