Abstract
Epitaxial growth of InAs(001) is investigated using kinetic Monte Carlo simulations based on calculations employing ab initio density functional theory (DFT). Simulated islands are elongated along the [10] direction. Steps along the [10] direction (A-steps) are straight whereas steps in the perpendicular direction (B-steps) are rough. The observed anisotropy in step structure and island morphology is correlated to the detailed microscopic processes of nucleation and growth and the underlying reconstruction of the surface. The supporting calculations employing DFT reveal low energy for steps along [10] direction (A-steps).
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