Polarization Effects, Network Dynamics, and the Infrared Spectrum of Amorphous <span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi>SiO</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math></span>

Mark Wilson; Paul A. Madden; Mahin Hemmati; C. Austen Angell

doi:10.1103/PhysRevLett.77.4023

Polarization Effects, Network Dynamics, and the Infrared Spectrum of Amorphous ${SiO}_{2}$

Mark Wilson, Paul A. Madden, Mahin Hemmati, and C. Austen Angell

Phys. Rev. Lett. 77, 4023 – Published 4 November 1996

Abstract

A computer simulation of amorphous ${SiO}_{2}$ , 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.