Modeling (001) surfaces of II-VI semiconductors

被引：1

作者：

Ahr, M ^{[1
]}

Biehl, M ^{[1
]}

Volkmann, T ^{[1
]}

机构：

[1] Univ Wurzburg, Inst Theoret Phys & Astrophys, D-97074 Wurzburg, Germany

来源：

COMPUTER PHYSICS COMMUNICATIONS | 2002年 / 147卷 / 1-2期

关键词：

D O I：

10.1016/S0010-4655(02)00226-6

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

First, we present a two-dimensional lattice gas model with anisotropic interactions which explains the experimentally observed transition from a dominant c(2 x 2) ordering of the CdTe(001) surface to a local (2 x 1) arrangement of the Cd atoms as an equilibrium phase transition. Its analysis by means of transfer-matrix and Monte Carlo techniques shows that the small energy difference of the competing reconstructions determines to a large extent the nature of the different phases. Then, this lattice gas is extended to a model of a three-dimensional crystal which qualitatively reproduces many of the characteristic features of CdTe which have been observed during sublimation and atomic layer epitaxy. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：107 / 110

页数：4

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