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Influence of ad-dimers on the incorporation of carbon in the Si(100) surface

P.h. Sonnet
•
L. Stauffer
•
A. Selloni
•
DE VITA, ALESSANDRO
2003
  • journal article

Periodico
PHYSICAL REVIEW. B, CONDENSED MATTER
Abstract
We present first principle total energy calculations of carbon incorporation in the Si(100) surface in the presence of silicon ad-dimers either parallel or perpendicular to the dimer rows of the clean surface. By modifying the local stress, the ad-dimers are found to make the carbon penetration in the subsurface layers easier. At low coverages (thetasles0.125), carbon atoms are preferentially adsorbed in the third layer directly below an ad-dimer, and the barrier at the crossing of the second layer on the clean surface is strongly reduced or completely vanishes. At higher coverage (0.125lesthetasles0.25), configurations with part of the carbons at the surface and part in the third layer are favored. These tendencies are enhanced with increasing ad-dimer density
DOI
10.1103/PhysRevB.67.233305
Archivio
http://hdl.handle.net/11368/2560670
Diritti
metadata only access
Soggetti
  • computer-assisted mol...

  • surface science

Web of Science© citazioni
4
Data di acquisizione
Jan 13, 2024
Visualizzazioni
1
Data di acquisizione
Apr 19, 2024
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