Abstract
The initial stage of Au adsorption on the Si (111)-7 × 7 surface has been investigated by the first-principles calculations. Different configurations have been considered and the high coordination sites were determined as the most possible places for the Au adsorption. The diffusion barriers for Au atoms on the Si surface have also been evaluated. The results indicated that the Au atoms could diffuse from the top of the Si rest atoms to the high coordination sites only by overcoming a small barrier of 0.11 eV.
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