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Modelling (001) surfaces of II-VI semiconductors

M. Ahr·M. Biehl·T. Volkmann
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Abstract

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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M. Ahr, M. Biehl, T. Volkmann. 2001-07-31. Modelling (001) surfaces of II-VI semiconductors. https://doi.org/10.1016/s0010-4655(02)00226-6

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