ELASTIC-CONSTANTS AND PHONON-DISPERSION OF AMORPHOUS COPPER WITH EMBEDDED-ATOM FORCE

被引:2
作者
XIE, Q [1 ]
HUANG, MC [1 ]
机构
[1] XIAMEN UNIV, DEPT PHYS, XIAMEN 361005, PEOPLES R CHINA
来源
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 1994年 / 186卷 / 02期
关键词
D O I
10.1002/pssb.2221860206
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Elastic constants and phonon dispersion of amorphous copper are studied by assuming that the interatomic potential is transferable from the crystalline slate and can be represented by the analytical model of the embedded-atom method given by Johnson. To test its effectiveness, the force model is used to calculate the phonon eigenfrequencies in the copper crystal and the result is in perfect agreement with experimental values measured at 80 K. Based on the embedded-atom method and in connection with the radial distribution function, the formulae for calculating the elastic constants of the amorphous phase and the modified Takeno-Goda formula for studying phonon dispersion in amorphous materials are presented. For an easy implementation, the formulae are simplified by using the Bhatia-Singh approximation, in which only the nearest-neighbour contribution is considered.
引用
收藏
页码:383 / 391
页数:9
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