Abstract
The electronic structure of the Si(001) surface is obtained with a tight-binding method developed in the slab geometry. The effects of local Coulomb interactions on the stability of antiferromagnetic solutions and on the width of the gap in the surface states at the Si(001) surface reconstructed with symmetric dimers are first visualized with a two-orbital model Hamiltonian. It allows us to study the effect of the coupling between the dangling and the bonding orbitals. The calculation performed with the tight-binding method supports the results of the model and provides an explanation of the semiconducting character of the reconstructed Si(001) surface with symmetric dimers
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