,Deposition behaviour of single Si adatom on p(2 × 2) Si(100) surface

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The deposition of a single Si adatom on the p(2×2) reconstructed Si(100) surface has been simulated by an empirical tight-binding method. Using the perfect and defective Si surfaces as the deposition substrates, the deposition energies are mapped out around the research areas. From the calculated energy plots, the binding sites and several possible diffusion paths are achieved. The introduced defects will make the deposition behaviour different from that on the perfect surface.
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