Polarization effects, network dynamics, and the infrared spectrum of amorphous SiO2

Mark Wilson; Paul A. Madden; Mahin Hemmati; Charles Angell

doi:10.1103/PhysRevLett.77.4023

Polarization effects, network dynamics, and the infrared spectrum of amorphous SiO₂

Mark Wilson, Paul A. Madden, Mahin Hemmati, Charles Angell

Molecular Sciences, School of (SMS)

Research output: Contribution to journal › Article › peer-review

159 Scopus citations

Abstract

A computer simulation of amorphous SiO₂, 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.

Original language	English (US)
Pages (from-to)	4023-4026
Number of pages	4
Journal	Physical Review Letters
Volume	77
Issue number	19
DOIs	https://doi.org/10.1103/PhysRevLett.77.4023
State	Published - 1996

ASJC Scopus subject areas

General Physics and Astronomy

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title = "Polarization effects, network dynamics, and the infrared spectrum of amorphous SiO2",

abstract = "A computer simulation of amorphous SiO2, 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.",

author = "Mark Wilson and Madden, {Paul A.} and Mahin Hemmati and Charles Angell",

year = "1996",

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AU - Wilson, Mark

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AU - Hemmati, Mahin

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AB - A computer simulation of amorphous SiO2, 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.

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JO - Physical Review Letters

JF - Physical Review Letters

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Polarization effects, network dynamics, and the infrared spectrum of amorphous SiO₂

Abstract

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