Phase transition at finite temperature in one dimension: Adsorbate ordering in Ba/Si(111)3 x 2

被引：7

作者：

Erwin, SC ^{[1
]}

Hellberg, CS ^{[1
]}

机构：

[1] USN, Res Lab, Ctr Computat Mat Sci, Washington, DC 20375 USA

来源：

SURFACE SCIENCE | 2005年 / 585卷 / 03期

关键词：

density functional calculations; Monte Carlo simulations; equilibrium thermodynamics and statistical mechanics; Ising models; low energy electron diffraction; surface thermodynamics; silicon; alkaline earth metals;

D O I：

10.1016/j.susc.2005.04.026

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：

We demonstrate that the Ba-induced Si(1 1 1)3 x 2 reconstruction is a physical realization of a one-dimensional antiferromagnetic Ising model with long-range Coulomb interactions. Monte Carlo simulations performed on a corresponding Coulomb-gas model, which we construct based on density-functional calculations, reveal an adsorbate-ordering phase transition at finite temperature. We show numerically that this unusual one-dimensional phase transition should be detectable by low-energy electron diffraction. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：L171 / L176

页数：6

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