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Title: Influence of germanium ad-dimers on carbon incorporation in the si(001) surface
Authors: Sonnet, Ph 
Stauffer, Louise 
Kelires, Pantelis C. 
Keywords: Carbon;Germanium;Adsorption;Orientation;Molecular dynamics
Issue Date: 2004
Publisher: APS American Physical Society
Source: Physical Review B - Condensed Matter and Materials Physics,2004, Volume 70, Issue 23,Pages 1-5
Abstract: We present a theoretical study of the influence of germanium ad-dimers on carbon incorporation in the Si(001) surface. Our ab initio energetic calculations show that the presence of a germanium ad-dimer clearly improves the single-carbon-atom penetration in the Si(001) subsurface layers with respect to the defectless surface. The energetic barrier observed in the case of the defectless Si(001) surface has disappeared, and the third-layer α sites are largely favored. Comparing our results to those obtained in the presence of silicon ad-dimers, we notice roughly similar trends, but our study emphasizes the role of the chemical nature of the ad-dimer following its orientation. On the other hand, the size difference between the germanium and silicon atoms in the ad-dimers is found to be of less importance. We eventually show that parameters such as the chemical nature, orientation, and location of the ad-dimers can be adequately monitored to improve carbon penetration in the Si(001) surface and allow a better control of the carbon atom positions in the subsurface layers.
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.70.235303
Rights: © 2004 The American Physical Society.
Type: Article
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