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Self-organization of S adatoms on Au(111): root 3R30 degrees rows at low coverage

TitleSelf-organization of S adatoms on Au(111): root 3R30 degrees rows at low coverage
Publication TypeJournal Article
Year of Publication2015
AuthorsWalen, H, Liu, DJ, Oh, J, Lim, H, Evans, JW, Kim, Y, Thiel, PA
JournalJournal of Chemical Physics
Date Published07
Type of ArticleArticle
ISBN Number0021-9606
Accession NumberWOS:000357873900035
Keywordsadsorbate-adsorbate interactions, density, formed, gold, phase-diagram, reconstruction, scanning-tunneling-microscopy, stm, sulfur adlayers, surface, temperature

Using scanning tunneling microscopy, we observe an adlayer structure that is dominated by short rows of S atoms, on unreconstructed regions of a Au(111) surface. This structure forms upon adsorption of low S coverage (less than 0.1 monolayer) on a fully reconstructed clean surface at 300 K, then cooling to 5 K for observation. The rows adopt one of three orientations that are rotated by 30 degrees from the close-packed directions of the Au(111) substrate, and adjacent S atoms in the rows are separated by root 3 times the surface lattice constant, a. Monte Carlo simulations are performed on lattice-gas models, derived using a limited cluster expansion based on density functional theory energetics. Models which include long-range pairwise interactions (extending to 5a), plus selected trio interactions, successfully reproduce the linear rows of S atoms at reasonable temperatures. (C) 2015 AIP Publishing LLC.

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Chemical Physics

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