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Theory of chemisorption

II. Effect of partial order among adatoms

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Czechoslovak Journal of Physics B Aims and scope

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 coverageθ, 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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Authors and Affiliations

  1. Institute of Physics, Czechosl. Acad. Sci., Na Slovance 2, 180 40, Praha 8, Czechoslovakia

    J. Kudrnovský & B. Velický

Authors
  1. J. Kudrnovský
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  2. B. Velický
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Kudrnovský, J., Velický, B. Theory of chemisorption. Czech J Phys 35, 1163–1179 (1985). https://doi.org/10.1007/BF01596432

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  • DOI: https://doi.org/10.1007/BF01596432

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