Self-Doping of Gold Chains on Silicon: A New Structural Model for Si(111)5x2-Au
Abstract
A new structural model for the Si(111)5x2-Au reconstruction is proposed and analyzed using first-principles calculations. The basic model consists of a "double honeycomb chain" decorated by Si adatoms. The 5x1 periodicity of the honeycomb chains is doubled by the presence of a half-occupied row of Si atoms that partially rebonds the chains. Additional adatoms supply electrons that dope the parent band structure and stabilize the period doubling; the optimal doping corresponds to one adatom per four 5x2 cells, in agreement with experiment. All the main features observed in scanning tunneling microscopy and photoemission are well reproduced.
Keywords
Cite
@article{arxiv.cond-mat/0309585,
title = {Self-Doping of Gold Chains on Silicon: A New Structural Model for Si(111)5x2-Au},
author = {Steven C. Erwin},
journal= {arXiv preprint arXiv:cond-mat/0309585},
year = {2009}
}
Comments
4 pages, 4 figures, to appear in Phys. Rev. Lett. (preprint with high quality figures available at http://cst-www.nrl.navy.mil/~erwin/papers/ausi111)