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Self-organization of S adatoms on Au(111): √3R30° rows at low coverage
Journal of Chemical Physics
  • Holly L. Walen, Iowa State University
  • Da-Jiang Liu, Ames Laboratory
  • Junepyo Oh, RIKEN Surface and Interface Science Laboratory
  • Hyunseob Lim, RIKEN Surface and Interface Science Laboratory
  • James W. Evans, Iowa State University
  • Yousoo Kim, RIKEN Surface and Interface Science Laboratory
  • Patricia A. Thiel, Iowa State University
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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◦ 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, 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.

The following article appeared in Journal of Chemical Physics 143, 014704 (2015); and may be found at doi: 10.1063/1.4922929.

Copyright 2015 American Institute of Physics. This araticle may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
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American Institute of Physics
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Holly L. Walen, Da-Jiang Liu, Junepyo Oh, Hyunseob Lim, et al.. "Self-organization of S adatoms on Au(111): √3R30° rows at low coverage" Journal of Chemical Physics Vol. 143 Iss. 1 (2015) p. 014704-1 - 014704-10
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