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Title: Dimer pairing on the c-alloyed si(001) surface
Authors: Leifeld, Oliver 
Grützmacher, Detlev A. 
Kelires, Pantelis C. 
Keywords: Carbon
Issue Date: 1999
Publisher: APS American Physical Society
Source: Physical Review Letters,1999, Volume 82, Issue 5, Pages 972-975
Abstract: The initial stages of carbon alloying into the Si(001) surface are studied by scanning tunneling microscopy (STM) and density functional theory. Carbon increases the surface roughness compared to the clean surface and induces a c(4 × 4) reconstruction. To explain experimental observations, we propose a novel surface reconstruction model that involves pairing of Si dimers mediated by the presence of a complex of a C dimer and four nearest neighbor subsurface C atoms. The model is backed by total energy and thermal stability simulations. Its calculated surface charge density agrees well with the filled state STM images.
ISSN: 0031-9007 (print)
1079-7114 (online)
DOI: 10.1103/PhysRevLett.82.972
Rights: © 1999 The American Physical Society.
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