First principles study of the Si(557)-Au surface

Details First principles study of the Si(557)-Au surface First principles study of the Si(557)-Au surface

2002-08-07

arxiv.org/abs/cond-mat/0208134v1

Surface Science 532-533, 665 (2003)

Physics

Condensed Matter

Materials Science

12 pages, including two figures, in preprint format. Submitted to Surface Science on July 2002 (Proceedings of the ECOSS-21 co

Scientific paper

We have performed a density functional study of fifteen different structural models of the Si(557)-Au surface reconstruction. Here we present a brief summary of the main structural trends obtained for the more favourable models, focusing afterwards in a detailed description of the atomic structure, electronic properties and, simulated STM images of the most stable model predicted by our calculations. This structure is in very good agreement with that recently proposed from X-ray diffraction measurements by Robinson et al. [Phys. Rev. Lett. 88, (2002) 096194].

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