Modelling (001) surfaces of II-VI semiconductors

Details Modelling (001) surfaces of II-VI semiconductors Modelling (001) surfaces of II-VI semiconductors

2001-07-31

arxiv.org/abs/cond-mat/0107630v1

Physics

Condensed Matter

Materials Science

5 pages, 3 figures

Scientific paper

10.1016/S0010-4655(02)00226-6

First, we present a two-dimensional lattice gas model with anisotropic interactions which explains the experimentally observed transition from a dominant c(2x2) ordering of the CdTe(001) surface to a local (2x1) 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.

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