Özkaya, SibelÇakmak, MükerremAlkan, BerkJohansson, LSOAndersen, JNGothelid, MHelmersson, UMontelius, LRubel, MSetina, JWernersson, LE13.07.20192019-07-1613.07.20192019-07-1620081742-6588https://doi.org/10.1088/1742-6596/100/7/072025https://hdl.handle.net/20.500.12451/513117th International Vacuum Congress/13th International Conference on Surface Science/International Conference on Nanoscience and Technology -- JUL 02-06, 2007 -- Stockholm, SWEDENWOS:000275655200255We have examined the Si(111) surface with 1/3 monolayer of group-IV elements within the abinitio density functional theory We have considered two possible threefold-c oordinated sites for the atom adsorption: (i) H-3 site (this site is directly above a fourth-layer Si atom and (ii) T-4 site (directly above a second-layer Si atom). For the atoms Ge, Sn, and Pb, the T-4 position always gives the most stable configuration, comparing with the H-3 site. The calculated energy difference between T-4 and H-3 for Pb, Ge, and Sn, is 0.32 eV, 0.59 eV, and 0.41eV, respectively. We have also presented electronic band structure and orbital character of the surface states of the Sn/Si(111)-(root 3x root 3)surface.eninfo:eu-repo/semantics/openAccessConference Object10010.1088/1742-6596/100/7/072025Q3WOS:000275655200255N/A