POLARIZATION EFFECTS, NETWORK DYNAMICS, AND THE INFRARED-SPECTRUM OF AMORPHOUS SIO2

Authors
WILSON M MADDEN PA HEMMATI M ANGELL CA
Citation
M. Wilson et al., POLARIZATION EFFECTS, NETWORK DYNAMICS, AND THE INFRARED-SPECTRUM OF AMORPHOUS SIO2, Physical review letters, 77(19), 1996, pp. 4023-4026
Citations number
23
Categorie Soggetti
Physics
Journal title
Physical review letters → ACNP
ISSN journal
00319007
Volume
77
Issue
19
Year of publication
1996
Pages
4023 - 4026
Database
ISI
SICI code
0031-9007(1996)77:19<4023:PENDAT>2.0.ZU;2-Z
Abstract
A computer simulation of amorphous SiO2, with a potential which includ es formal ionic charges and an explicit account of polarization effect s, produces a calculated infrared spectrum in good agreement with expe riment. The polarization effects play a crucial role in reproducing th e observed network vibrational frequencies and in allowing for the cor rect distribution of intensity across the spectrum.