Ab initio study of transport properties in defected carbon nanotubes: an O(N) approach

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dc.creatorBiel, Blanca
dc.creatorGarcia-Vidal, F. J.
dc.creatorRubio, Angel
dc.creatorFlores, Fernando
dc.date2008-01-17
dc.date.accessioned2026-07-07T12:47:47Z
dc.date.available2026-07-07T12:47:47Z
dc.descriptionA combination of ab initio simulations and linear-scaling Green's functions techniques is used to analyze the transport properties of long (up to one micron) carbon nanotubes with realistic disorder. The energetics and the influence of single defects (mono- and di-vacancies) on the electronic and transport properties of single-walled armchair carbon nanotubes are analyzed as a function of the tube diameter by means of the local orbital first-principles Fireball code. Efficient O(N) Green's functions techniques framed within the Landauer-Buttiker formalism allow a statistical study of the nanotube conductance averaged over a large sample of defected tubes and thus extraction of the nanotubes localization length. Both the cases of zero and room temperature are addressed.
dc.description15 pages, 12 figures (submitted to J. Phys: Condens. Matter)
dc.identifierhttps://arxiv.org/abs/0801.2732
dc.identifierhttp://arxiv.org/abs/0801.2732
dc.identifierJ. Phys.: Condens. Matter 20, 294214 (2008)
dc.identifierdoi:10.1088/0953-8984/20/29/294214
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/221837
dc.subjectMesoscale and Nanoscale Physics
dc.subjectMaterials Science
dc.titleAb initio study of transport properties in defected carbon nanotubes: an O(N) approach
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