The structure of atomic nitrogen adsorbed on Fe(100) |
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Authors: | R Imbihl RJ Behm G Ertl W Moritz |
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Institution: | Institut für Physikalische Chemie, Universität München, D — 8000 München 2, Fed. Rep. of Germany;Institut für Kristallographie und Mineralogie, Universität Müchen, D — 8000 München 2, Fed. Rep. of Germany |
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Abstract: | Nitrogen atoms adsorbed on a Fe(100) surface cause the formation of an ordered c(2 × 2) overlayer with coverage 0.5. A structure analysis was performed by comparing experimental LEED I–V spectra with the results of multiple scattering model calculations. The N atoms were found to occupy fourfold hollow sites, with their plane 0.27 Å above the plane of the surface Fe atoms. In addition, nitrogen adsorption causes an expansion of the two topmost Fe layers by 10% (= 0.14 Å). The minimum r-factor for this structure analysis is about 0.2 for a total of 16 beams. The resulting atomic arrangement is similar to that in the (002) plane of bulk Fe4N, thus supporting the view of a “surface nitride” and providing a consistent picture of the structural and bonding properties of this surface phase. |
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