Abstract
Two substantially different forms of carbon adlayers can be prepared on transition metals by dissociation of CO or hydrocarbons in appropriate temperature and exposure conditions, called carbidic and graphitic carbon. We report electronic structure calculations for both types of overlayer on Ni surfaces. In the particular case of the (2×2)C p4g carbidic phase on Ni{001} the chemisorbed carbon induces a reconstructin of the top layer of metal atoms; we show the effects of these atomic displacements on the dispersion of the surface energy-bands, and compare with recent angle-resolved photoemission data.
Published Version
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