Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.14279/1460
Title: Dimer pairing on the c-alloyed si(001) surface
Authors: Leifeld, Oliver 
Grützmacher, Detlev A. 
Kelires, Pantelis C. 
metadata.dc.contributor.other: Κελίρης, Παντελής
Major Field of Science: Natural Sciences
Keywords: Carbon;Energy
Issue Date: 1-Feb-1999
Source: Physical Review Letters,1999, vol. 82, no. 5, pp. 972-975
Volume: 82
Issue: 5
Start page: 972
End page: 975
Journal: Physical review letters 
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.
URI: https://hdl.handle.net/20.500.14279/1460
ISSN: 10797114
DOI: 10.1103/PhysRevLett.82.972
Rights: © American Physical Society
Type: Article
Affiliation: University of Crete 
Affiliation : Paul Scherrer Institute 
University of Crete 
Harvard University 
Institut de Physique Expérimentale 
Publication Type: Peer Reviewed
Appears in Collections:Άρθρα/Articles

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