Structure of As2S3–Sb4S4 glasses by combined Raman spectroscopy and thermodynamic modeling approach

Abstract The structure of chalcogenide glasses of the pseudo-binary system As 2 S 3 –Sb 4 S 4 was investigated by comparing the results of the thermodynamic model of Shakhmatkin and Vedishcheva with the results obtained from the analysis of the Raman spectra of x As 2 S 3 (100 − x )Sb 4 S 4 ( x = 100, 95, 90, 80, 70, 60, 50, 40) glasses performed by the P rincipal C omponent A nalysis and the spectral decomposition by the method of Malfait. On the basis of the eigenvalues three independent components were identified in the studied spectral series. On the other hand, the thermodynamic modeling resulted in three components with significant abundance in the studied glasses, i.e. As 2 S 2 , As 2 S 3 , and Sb 2 S 3 . Moreover, the correlation analysis proved the strong linear dependence between the concentrations of As, Sb, and Sb 2 S 3 . Using the method of Malfait, partial Raman spectra of As 2 S 2 , As 2 S 3 , and the linear spectral combination (0.15 As + 0.20 Sb + Sb 2 S 3 ) were calculated. The experimental spectra were well reproduced. The obtained results confirmed the structural information acquired from the thermodynamic model.