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On correlation effects in the indirect interaction between adatoms
Authors:K. Schönhammer  V. Hartung  W. Brenig
Affiliation:1. Physik-Department, Technischen Universit?t München, James-Franck-Stra?e, D-8046, Garching bei München, Federal Republic of Germany
Abstract:Starting from a nonorthogonal basis set a model Hamiltonian for the chemisorption of two adsorbates is derived. The nonorthogonality is converted into a renormalization of the matrix elements. A solution is presented which becomes exact in two limiting cases. The indirect interaction energy of two hydrogen atoms is calculated for adsorption on a semi infinite simple cubic solid described by ans-band. For the band nearly filled (parameters of Ni) a 2 × 2 structure seems to be energetically favourable.
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