Abstract
The epitaxial growth of CdTe on Si(0 0 1) substrates is simulated employing molecular dynamics and a hybrid approach combining molecular dynamics and Molte Carlo methods. Empirical Rockett potentials are employed to describe interatomic interactions. The simulations predict that the epilayer growth direction is the (1 1 1) direction under experimentally determined optimum growth conditions. The influence of substrate miscut angle is examined by the consideration of single and double monolayer steps on the substrate surface.
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