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LEED and DFT investigation on the (2 × 2)-S overlayer on Co(0 0 0 1)

Lahtinen, J. (author)
Laboratory of Physics, Helsinki University of Technology
Kantola, P. (author)
Laboratory of Physics, Helsinki University of Technology
Jaatinen, S. (author)
Laboratory of Physics, Helsinki University of Technology
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Habermehl-Cwirzen, K. (author)
Laboratory of Physics, Helsinki University of Technology
Salo, P. (author)
Laboratory of Physics, Helsinki University of Technology
Vuorinen, J. (author)
Institute of Physics, Tampere University of Technology
Lindroos, M. (author)
Institute of Physics, Tampere University of Technology
Pussi, K. (author)
Laboratory of Electronics Materials Technology, Lappeenranta University of Technology
Seitsonen, A. P. (author)
Institute of Mineralogy and Condensed Matter Physics, CNRS and University of Pierre and Marie Curie
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 (creator_code:org_t)
Elsevier BV, 2005
2005
English.
In: Surface Science. - : Elsevier BV. - 0039-6028 .- 1879-2758. ; 599:1-3, s. 113-121
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • The geometric surface structure of a (2 × 2)-S layer formed by adsorption of hydrogen sulfide at 185 K on the Co(0 0 0 1) surface has been determined by low energy electron diffraction (LEED) experiments and density-functional theory (DFT) calculations. The favored atomic configuration consists of sulfur atoms residing at the fcc-hollow sites with S-Co distance of 2.2 ± 0.1 Å. Buckling in the first layer is negligible and the three nearest-neighbor Co atoms below the S atom are symmetrically moved by 0.05 ± 0.09 Å along the surface away from the S atom. The DFT calculations confirm the hollow-site adsorption and give further information on the electronic structure of the system. © 2005 Elsevier B.V. All rights reserved.

Subject headings

TEKNIK OCH TEKNOLOGIER  -- Samhällsbyggnadsteknik -- Husbyggnad (hsv//swe)
ENGINEERING AND TECHNOLOGY  -- Civil Engineering -- Building Technologies (hsv//eng)

Keyword

Adsorption
Cobalt
Density functional calculations
DFT
Low energy electron diffraction (LEED)
Morphology
Roughness
Sulfur
Surface structure
Topography
Stålbyggnad
Steel Structures

Publication and Content Type

ref (subject category)
art (subject category)

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