Please use this identifier to cite or link to this item: http://ktisis.cut.ac.cy/handle/10488/7648
Title: Energetics and equilibrium properties of thin pseudomorphic si1-xcx(100) layers in si
Authors: Kaxiras, Efthimios 
Kelires, Pantelis C. 
Keywords: Carbon;Silicon;Thin films;Temperature
Issue Date: 1997
Publisher: APS American Physical Society
Source: Physical Review Letters,1997, Volume 78, Issue 18, Pages 3479-3482
Abstract: We investigate the structure of carbon enriched thin silicon films which involve large strains, using first-principles total energy calculations and Monte Carlo simulations. We identify the energetically most favored configurations of substitutional carbon atoms in the Si(100) surface layers, and obtain the equilibrium depth profile at various temperatures. The interplay between the reconstruction strain field and the solute-atom interactions leads to complicated structural patterns that are different from related weakly strained systems.
URI: http://ktisis.cut.ac.cy/handle/10488/7648
ISSN: 0031-9007 (print)
1079-7114 (online)
DOI: 10.1103/PhysRevLett.78.3479
Rights: © 1997 The American Physical Society.
Type: Article
Appears in Collections:Άρθρα/Articles

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