Ab initio study of semiconducting carbon nanotubes adsorbed on the Si(100) surface: diameter- and registration-dependent atomic configurations and electronic properties

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dc.creatorBarraza-Lopez, Salvador
dc.creatorAlbrecht, Peter M.
dc.creatorRomero, Nichols A.
dc.creatorHess, Karl
dc.date2005-10-18
dc.date2006-06-22
dc.date.accessioned2026-07-07T07:41:22Z
dc.date.available2026-07-07T07:41:22Z
dc.descriptionWe present a first-principles study of semiconducting carbon nanotubes adsorbed on the unpassivated Si(100) surface. We have found metallicity for the combined system caused by n-doping of the silicon slab representing the surface by the SWNT. We confirm this metallicity for nanotubes of different diameters and chiral angles, and find the effect to be independent of the orientation of the nanotubes on the surface. We also present adsorption energetics and configurations which show semiconducting SWNTs farther apart from the surface and transferring less charge, in comparison with metallic SWNTs of similar diameter.
dc.descriptionReplaces old (Jan 2006) version; more supporting material. 11 pages, 8 figures, 7 tables
dc.identifierhttps://arxiv.org/abs/cond-mat/0510477
dc.identifierhttp://arxiv.org/abs/cond-mat/0510477
dc.identifierJ. Appl. Phys 100, 124304 (2006)
dc.identifierdoi:10.1063/1.2400404
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/122082
dc.subjectMaterials Science
dc.titleAb initio study of semiconducting carbon nanotubes adsorbed on the Si(100) surface: diameter- and registration-dependent atomic configurations and electronic properties
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