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

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

2005-10-18

arxiv.org/abs/cond-mat/0510477v3

J. Appl. Phys 100, 124304 (2006)

Physics

Condensed Matter

Materials Science

Replaces old (Jan 2006) version; more supporting material. 11 pages, 8 figures, 7 tables

Scientific paper

10.1063/1.2400404

We 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.

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