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|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)
|DOI:||10.1103/PhysRevLett.78.3479||Rights:||© 1997 The American Physical Society.||Type:||Article|
|Appears in Collections:||Άρθρα/Articles|
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