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  4. First-principles analysis of the Raman spectrum of vitreous silica: comparison with the vibrational density of states
 
research article

First-principles analysis of the Raman spectrum of vitreous silica: comparison with the vibrational density of states

Umari, P.
•
Pasquarello, Alfredo  
2003
Journal of Physics: Condensed Matter

The HH and HV Raman spectra of vitreous silica are calculated from first principles for a model structure consisting of a disordered network of corner-sharing tetrahedra, for which the vibrational properties were obtained previously. We analyse the contribution of specific atomic motions to the Raman spectra and perform a detailed comparison with respect to the vibrational density of states. We find that the HV spectrum closely resembles the vibrational density of states. By comparison, the HH spectrum shows significant differences and arises almost exclusively from oxygen vibrations.

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Type
research article
DOI
10.1088/0953-8984/15/16/304
Web of Science ID

WOS:000182936200005

Author(s)
Umari, P.
Pasquarello, Alfredo  
Date Issued

2003

Published in
Journal of Physics: Condensed Matter
Volume

15

Issue

16

Start page

S1547

End page

S1552

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Available on Infoscience
October 8, 2009
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/43457
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