Theory of chemisorption |
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Authors: | J. Kudrnovský B. Velický |
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Affiliation: | (1) Institute of Physics, Czechosl. Acad. Sci., Na Slovance 2, 180 40 Praha 8, Czechoslovakia |
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Abstract: | We determine the electronic structure of a semiinfinite crystal with a general coverage by adatoms, if there exists a partial order described by the long-range order parameter5. The tight-binding formalism is used, the presence of the surface is included via the surface Green function method, and the effect of disorder is described by a version of the coherent potential approximation. The local densities of states at/near the surface as well as the interaction energy of adatoms are calculated as functions of the coverage , and the long-range order parameterS. The numerical examples modelling the cases of a gas adsorption on the transition metal surfaces as well as the transition metal atoms on the transition metal surfaces, are investigated. |
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