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

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.
 [1] ;  [2] ; ORCiD logo [3] ;  [3] ;  [4] ;  [3] ;  [5]
  1. Iowa State Univ., Ames, IA (United States)
  2. Ames Lab., Ames, IA (United States)
  3. RIKEN Surface and Interface Science Lab., Saitama (Japan)
  4. Ames Lab. (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
  5. Iowa State Univ., Ames, IA (United States); Ames Lab. (AMES), Ames, IA (United States)
Publication Date:
OSTI Identifier:
Grant/Contract Number:
CHE1111500; AC02-07CH11358
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 143; Journal Issue: 1; Journal ID: ISSN 0021-9606
American Institute of Physics (AIP)
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
Country of Publication:
United States