Polarization Effects, Network Dynamics, and the Infrared Spectrum of Amorphous
- 4 November 1996
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 77 (19) , 4023-4026
- https://doi.org/10.1103/physrevlett.77.4023
Abstract
A computer simulation of amorphous , with a potential which includes formal ionic charges and an explicit account of polarization effects, produces a calculated infrared spectrum in good agreement with experiment. The polarization effects play a crucial role in reproducing the observed network vibrational frequencies and in allowing for the correct distribution of intensity across the spectrum.
Keywords
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