MOLECULAR-DYNAMICS STUDY OF LATTICE-VIBRATIONS IN THE MIXED-CRYSTAL K0.5RB0.5CL

被引：1

作者：

COWLEY, ER ^{[1
]}

KLEIN, ML ^{[1
]}

机构：

[1] UNIV PENN, DEPT CHEM, PHILADELPHIA, PA 19104 USA

来源：

PHYSICAL REVIEW B | 1991年 / 44卷 / 10期

关键词：

D O I：

10.1103/PhysRevB.44.5000

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have performed molecular-dynamics simulations on a system of 512 ions arranged on a sodium chloride lattice, consisting of 256 chlorine ions, and a random mixture of 128 potassium ions and 128 rubidium ions, interacting through Coulombic and short-range rigid-ion potentials. Results are presented for the scattering function S(Q,omega) for a range of wave vectors, and for the Fourier-transformed velocity-velocity autocorrelation function. Peaks in the scattering function for the mixture are broader than those of pure KCl and are in some cases split.

引用

页码：5000 / 5006

页数：7

共 22 条

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