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• W2023349638 abstract "Ab initio molecular orbital calculations at the Hartree–Fock/3-21G(*) level have been performed on several clusters modeling SiS2 glass. The clusters consist of edge-sharing and/or corner-sharing structural units that can be found in actual glassy SiS2. The experimental Raman spectrum of SiS2 glass was interpreted in terms of vibrational frequencies calculated for these model clusters. The observed Raman bands at 427 and 415cm−1 were assigned to the breathing motions of S atoms localized in two (or more) and one edge-sharing units, respectively. We also propose that two peaks at 367 and 381cm−1 occur as a result of an accidental degeneracy or a resonance between the vibrations of the corner- and edge-sharing S atoms. The corner-sharing structure which is isolated from or connected with one edge-sharing also contributes to these peaks around 370cm−1." @default.
• W2023349638 created "2016-06-24" @default.
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• W2023349638 date "2001-04-01" @default.
• W2023349638 modified "2023-09-24" @default.
• W2023349638 title "Vibrational dynamics of glassy SiS2 on the basis of molecular orbital calculations" @default.
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• W2023349638 doi "https://doi.org/10.1016/s0022-3093(01)00312-x" @default.
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