Determination of lateral interaction energies in AgAu alloy films on Ru(0001) by Monte Carlo simulations

被引：1
|
作者：
Michels, J [1 ]
Wandelt, K [1 ]
机构：
[1] Univ Bonn, Inst Phys & Theoret Chem, D-53115 Bonn, Germany
来源：
JOURNAL OF CHEMICAL PHYSICS | 1998年 / 108卷 / 10期
关键词：
D O I：
10.1063/1.475824
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：
A lattice eas model with nonadditive lateral interactions is used to describe Ag, Au and AgAu bilayer films on a Ru(0001) substrate. By Monte Carlo simulations of adsorbate confiqurations and thermal desorption spectra of the Ag, Au and AgAu films, the microscopic interaction parameters of the gold and silver adatoms in the alloy film on Ru(0001) are obtained. The model reproduces experimental thermal desorption spectra of Ag, Au and AgAu films on Ru(0001) and also shows segregation of silver in the second monolayer of the alloy in agreement with experimental results. Based on perturbation theory, the configurational Gibbs free energy G of the AgAu monolayer alloy is calculated as a function of temperature and composition. (C) 1998 American Institute of Physics. [S0021-9606(98)02410-6].
引用
收藏
页码：4248 / 4256
页数：9
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