Ab initio study of the double row model of the Si(553)-Au reconstruction

Details Ab initio study of the double row model of the Si(553)-Au reconstruction Ab initio study of the double row model of the Si(553)-Au reconstruction

2005-12-23

arxiv.org/abs/cond-mat/0512618v1

Physics

Condensed Matter

Materials Science

Submitted to Surface Science on December 2005

Scientific paper

10.1016/j.susc.2005.12.043

Using x-ray diffraction Ghose et al. [Surf. Sci. {\bf 581} (2005) 199] have recently produced a structural model for the quantum-wire surface Si(553)-Au. This model presents two parallel gold wires located at the step edge. Thus, the structure and the gold coverage are quite different from previous proposals. We present here an ab initio study using density functional theory of the stability, electronic band structure and scanning tunneling microscopy images of this model.

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