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

被引：156

作者：

Wilson, M ^{[1
]}

Madden, PA ^{[1
]}

Hemmati, M ^{[1
]}

Angell, CA ^{[1
]}

机构：

[1] ARIZONA STATE UNIV,DEPT CHEM,TEMPE,AZ 85287

来源：

PHYSICAL REVIEW LETTERS | 1996年 / 77卷 / 19期

关键词：

D O I：

10.1103/PhysRevLett.77.4023

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

引用

页码：4023 / 4026

页数：4

共 23 条

[1]

Ashcroft N.W., 1976, Solid state physics Holt, Rinehart and Winston, Vfirst

[2] VIBRATIONAL-SPECTRA IN FLUORIDE-CRYSTALS AND GLASSES AT NORMAL AND HIGH-PRESSURES BY COMPUTER-SIMULATION [J].