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The structure of atomic nitrogen adsorbed on Fe(100)

Surface Science 123(1): 129-140

Autoren/Herausgeber: Imbihl R
Behm RJ
Ertl G
Moritz W
Erschienen: 1982

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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