Glass property calculations and prediction of new compounds on the basis of raman spectroscopy of borate glasses

Author： Markova Tatiana S. Yanush Oleg V. Polyakova Irina G. Pevzner Boris Z.

ISSN： 0031-9090

Source： Physics and Chemistry of Glasses - European Journal of Glass Science and Technology Part B, Vol.47, Iss.4, 2006-08, pp. : 476-483

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Abstract

Structural studies of B₂O₃–BaO–Al₂O₃ glasses and crystals have been carried out by Raman spectroscopy to investigate interaction of initial oxides resulted in so-called constant stoichiometry groupings (CSG) formation. The Raman spectra of glasses are interpreted as the superposition of relatively small numbers of unchangeable spectral forms belonging to CSG. The composition dependences of CSG mole fractions afford an opportunity to explain, calculate and predict dependences of refractive index, density, structural thermal expansion coefficient, the fraction of four coordinated borons and other properties of barium aluminoborate, Na₂O–B₂O₃, and Sb₂O₅–B₂O₃ glasses in agreement with experimental data. The Raman spectra analysis developed enabled us to predict the existence of unknown compounds Na₂O.8B₂O₃, Na₂O.4SiO₂ and others, which have been discovered now. Based on the measured Raman spectra we have proposed an explanation, which is able to predict the Boson peak frequency and its intensity correlations with the glass transition temperature. This prediction gives excellent agreement with the experimentally obtained data in B₂O₃–BaO, Na₂O–B₂O₃, and PbO–GeO₂ glasses.