Abstract
The ..pi..-bonded chain model is studied for Ge(111)-(2 x 1). The minimum-energy chain geometry is found with the use of the Hellmann-Feynman forces. A buckling of the surface atoms in the chain is energetically favorable. This buckling is associated with rehybridization (sp/sup 3/ to sp/sup 2/) effects. Theoretical surface-state dispersions for this geometry are compared with recent angle-resolved photoemission experiments.
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