Silicene structures on silver surfaces
Abbreviated Journal Title
J. Phys.-Condes. Matter
TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; DOUBLE-BOND; BASIS-SET; NANOWIRES; NANOTUBES; GROWTH; METALS; Physics, Condensed Matter
In this paper we report on several structures of silicene, the analog of graphene for silicon, on the silver surfaces Ag(100), Ag(110) and Ag(111). Deposition of Si produces honeycomb structures on these surfaces. In particular, we present an extensive theoretical study of silicene on Ag(111) for which several recent experimental studies have been published. Different silicene structures were obtained only by varying the silicon coverage and/or its atomic arrangement. All the structures studied show that silicene is buckled, with a Si-Si nearest neighbor distance varying between 2.28 and 2.5 angstrom. Due to the buckling in the silicene sheet, the apparent (lateral) Si-Si distance can be as low as 1.89 angstrom. We also found that for a given coverage and symmetry, one may observe different scanning tunneling microscopy images corresponding to structures that differ by only a translation.
Journal of Physics-Condensed Matter
"Silicene structures on silver surfaces" (2013). Faculty Bibliography 2010s. 2608.