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• W2056565905 abstract "Using a first-principles approach, we calculate Raman spectra for a model structure of vitreous silica. We develop a perturbational method for calculating the dielectric tensor in an ultrasoft pseudopotential scheme and obtain Raman coupling tensors by finite differences with respect to atomic displacements. For frequencies below $1000text{ }text{ }{mathrm{c}mathrm{m}}^{ensuremath{-}1}$, the parallel-polarized Raman spectrum of vitreous silica is dominated by oxygen bending motions, showing a strong sensitivity to the intermediate range structure. By modeling the Raman coupling, we derive estimates for the concentrations of three- and four-membered rings from the experimental intensities of the Raman defect lines." @default.
• W2056565905 created "2016-06-24" @default.
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• W2056565905 creator A5033544377 @default.
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• W2056565905 date "2003-01-13" @default.
• W2056565905 modified "2023-10-14" @default.
• W2056565905 title "Concentration of Small Ring Structures in Vitreous Silica from a First-Principles Analysis of the Raman Spectrum" @default.
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• W2056565905 doi "https://doi.org/10.1103/physrevlett.90.027401" @default.
• W2056565905 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/12570576" @default.
• W2056565905 hasPublicationYear "2003" @default.
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