Adsorption and diffusion of atoms on the Si(335)–Au surface

Adsorption and diffusion of atoms (Pb, In, Ag, Na and Mg) on the Si(335)–Au surface are studied with density functional theory. Depending on the chemical species, the preferential adsorption sites of adatoms are located at step edges of the surface or in the middle of terraces, near the Au chains. The movement of atoms is strongly anisotropic and proceeds mainly in a single channel along the step edges, according to atomic hopping only. The calculated diffusion barriers are usually higher than in the case of similar Si(553)–Au surface. The differences are ascribed to a number of the Au chains on each terrace of these surfaces.