Abstract
The total energies of several models of the Si(111) surface have been calculated with the pseudopotential method and the local spin density functional formalism. The 2×1 chain model has the lowest calculated total energy of those structures considered. The energy of the relaxed 1×1 geometry is minimized when the electrons in the surface states have their spins ordered with a 2×1 antiferromagnetic symmetry. Such a surface may exist on laser annealled Si(111)-(1×1).
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