TEST OF A PAIRWISE ADDITIVE IONIC POTENTIAL MODEL FOR SILICA

被引：33

作者：

DELLAVALLE, RG ^{[1
]}

ANDERSEN, HC ^{[1
]}

机构：

[1] STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305

来源：

JOURNAL OF CHEMICAL PHYSICS | 1991年 / 94卷 / 07期

关键词：

D O I：

10.1063/1.460541

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Lattice dynamics calculations have been performed for crystalline SiO2, using the two-body potential model developed by Tsuneyuki et al. [Phys. Rev. Lett. 61, 869 (1988)]. The computed phonon frequencies agree reasonably well with experiment. Minor deficiencies suggest that the Si-O force constant obtained from the model is too weak.

引用

页码：5056 / 5060

页数：5

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