New assignments of Raman spectra of tetrahedra and the effects of electronegativity. II. Silicate glasses
Our density functional theory calculations (by GAUSSIAN) on the Si4O104− moiety and Na4Si4O10 molecule reproduce the experimental Raman frequencies and relative intensities for the three A1 modes in the experimental Raman spectra of Na2Si2O5 and BaSi2O5 crystals and glasses. Taking the center of mas...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2023-12-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0173021 |