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|Title:||Influence of germanium ad-dimers on carbon incorporation in the si(001) surface||Authors:||Sonnet, Ph
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.||URI:||http://ktisis.cut.ac.cy/handle/10488/7526||ISSN:||1098-0121||DOI:||10.1103/PhysRevB.70.235303||Rights:||© 2004 The American Physical Society.||Type:||Article|
|Appears in Collections:||Άρθρα/Articles|
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