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|Title:||Modeling of the carbon-rich c(4 × 4) reconstruction on si(1 0 0)||Authors:||Remediakis, Ioannis N.
Kelires, Pantelis C.
|Keywords:||Silicon carbide;Carbon;Computer simulation;Mathematical models;Silicon carbide||Issue Date:||2004||Publisher:||Elsevier||Source:||Surface Science,2004, Volume 554, Issue 2-3, Pages 90-102||Abstract:||The structure and energetics of the carbon-rich c(4×4) surface reconstruction on Si(0 0 1) is studied theoretically. These combined analyses demonstrate that for five or six carbon atoms per c(4×4) unit cell, the configuration involving carbon atoms in second nearest-neighbor positions in subsurface sites is more stable than the first nearest-neighbor configuration, involving a C-C dimer and a missing Si dimer. This SiC-like configuration could account for the formation of 3C-SiC precipitates generally observed during the growth of Si-C alloys for high C concentrations (>3%) and at high temperatures (>650°C).||URI:||http://ktisis.cut.ac.cy/handle/10488/7551||ISSN:||0039-6028||DOI:||http://dx.doi.org/10.1016/j.susc.2004.02.016||Rights:||© 2004 Elsevier B.V. All rights reserved.||Type:||Article|
|Appears in Collections:||Άρθρα/Articles|
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