Atomic structure of Si nanowires on Ag(110): A density-functional theory study

We have systematically investigated the adsorption of Si on the Ag(110) surface employing density-functional theory. Various adsorption geometries have been considered for Si coverages up to 2.0 monolayers. Our results show that the Si-Ag bonds are slightly more favorable than the Si-Si bonds at low Si coverage and an attractive interaction between the Si adatoms is also identified. From the calculated results, we identify the most possible atomic structures of Si nanowires on the Ag(110) surface and propose a reasonable mechanism for the growth of Si nanowires on the Ag(110) surface.