Structural model for the metal-induced Si(111)3×1 reconstruction

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Abstract
We present a structural model for the metal-induced Si(111)3×1 reconstruction. Fivefold Si rings form one-dimensional π-bonded chains along 〈11¯0〉. These chains are separated by empty channels that can accommodate 1/3 monolayer of metal atoms. We propose that the π-bonded chains undergo a strong disturbance resulting in the formation of alternating dimers consistent with published scanning tunneling microscope images [K. J. Wan et al., Phys. Rev. B 46, 13 635 (1992)]. Unlike previous models, this model accounts for most experimental observations, including a large band gap and chemical passivation.

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