2D-drop model applied to the calculation of step formation energies on a (111) substrate

被引：9

作者：

Rojas, MI ^{[1
]}

Amilibia, GE ^{[1
]}

Del Pópolo, MG ^{[1
]}

Leiva, EPM ^{[1
]}

机构：

[1] Univ Nacl Cordoba, INFIQC, Unidad Matemat & Fis, Fac Cs Quim, RA-5000 Cordoba, Argentina

来源：

SURFACE SCIENCE | 2002年 / 499卷 / 01期

基金：

美国国家科学基金会; 美国国家卫生研究院;

关键词：

step formation and bunching; Monte Carlo simulations; metallic surfaces;

D O I：

10.1016/S0039-6028(01)01808-8

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 model is presented for obtaining the step formation energy for metallic islands on (1 1 1) surfaces from Monte Carlo simulations. This model is applied to homo (Cu/Cu(1 1 1), Ag/Ag(1 1 1)) and heteroepitaxy (Ag/Pt(1 1 1)) systems. The embedded atom method is used to represent the interaction between the particles of the system, but any other type of potential could be used as well. The formulation can also be employed to consider the case of other single crystal surfaces, since the higher barriers for atom motion on other surfaces are not a hindrance for the simulation scheme proposed. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：L135 / L140

页数：6

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