MONTE-CARLO STUDY OF LIQUID GAAS - BULK AND SURFACE-PROPERTIES

被引:25
作者
WANG, ZQ
STROUD, D
机构
[1] Department of Physics, Ohio State University, Columbus
来源
PHYSICAL REVIEW B | 1990年 / 42卷 / 08期
关键词
D O I
10.1103/PhysRevB.42.5353
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We model the bulk and surface behavior of liquid GaAs, using a combination of two-body and three-body potentials of the form proposed by Stillinger and Weber. Following our recent work on CdTe, we fit the parameters of the potential to bulk and molecular atomization energies, lattice constants, and melting temperatures. The calculated pair radial distribution agrees very well with experiment. The elastic constants, surface tension, and heat of fusion also show reasonable agreement with reported experimental values. © 1990 The American Physical Society.
引用
收藏
页码:5353 / 5356
页数:4
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