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

Walen, Holly; Liu, Da -Jiang; Oh, Junepyo; Lim, Hyunseob; Evans, J. W.; Kim, Yousoo; Thiel, P. A.

doi:10.1063/1.4922929

Title: Self-organization of S adatoms on Au(111): √3R30° rows at low coverage

Journal Article · Mon Jul 06 00:00:00 EDT 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4922929· OSTI ID:1227393

Walen, Holly ^[1]; Liu, Da -Jiang ^[2];

^[3]; Lim, Hyunseob ^[3]; Evans, J. W. ^[4]; Kim, Yousoo ^[3]; Thiel, P. A. ^[5]

Iowa State Univ., Ames, IA (United States)
Ames Lab., Ames, IA (United States)
RIKEN Surface and Interface Science Lab., Saitama (Japan)
Ames Lab. (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
Iowa State Univ., Ames, IA (United States); Ames Lab. (AMES), Ames, IA (United States)

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 cleansurface at 300 K, then cooling to 5 K for observation. The rows adopt one of three orientations that are rotated by 30° from the close-packed directions of the Au(111) substrate, and adjacent S atoms in the rows are separated by √3 times the surface lattice constant, a. Monte Carlo simulations are performed on lattice-gas models, we derived using a limited cluster expansion based on density functional theory energetics. Furthermore, 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.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: CHE1111500; AC02-07CH11358

OSTI ID:: 1227393

Journal Information:: Journal of Chemical Physics, Vol. 143, Issue 1; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 37 works

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