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Phys. Rev. B 78, 075409 (2008) [5 pages]

Stability and structure of atomic chains on Si(111)

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Corsin Battaglia* and Philipp Aebi
Institut de Physique, Université de Neuchâtel, 2000 Neuchâtel, Switzerland

Steven C. Erwin
Center for Computational Materials Science, Naval Research Laboratory, Washington DC 20375, USA

Received 13 May 2008; revised 13 June 2008; published 11 August 2008

We study the stability and structure of self-assembled atomic chains on Si(111) induced by monovalent, divalent, and trivalent adsorbates, using first-principles total-energy calculations and scanning tunneling microscopy. We find that only structures containing exclusively silicon honeycomb or silicon Seiwatz chains are thermodynamically stable, while mixed configurations, with both honeycomb and Seiwatz chains, may be kinetically stable.

© 2008 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.78.075409
DOI:
10.1103/PhysRevB.78.075409
PACS:
68.47.Fg, 81.16.Dn, 71.15.Mb, 68.37.Ef

*corsin.battaglia@unine.ch; http://www.unine.ch/phys/spectro