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Open Access item Ab initio study of transport properties in defected carbon nanotubes: an O(N) approach
García-Vidal, F. J.
Rubio Secades, Ángel
|Keywords:||[PACS] Nanotubes, [PACS] Scattering by point defects, dislocations, surfaces, and other imperfections (including Kondo effect), [PACS] Electronic transport in mesoscopic systems|
|Publisher:||IoP Publishing Ltd|
|Citation:||Journal of Physics-Condensed Matter 20: 294214 (2008)|
|Abstract:||A combination of ab initio simulations and linear-scaling Green's functions techniques is used to analyze the transport properties of long (up to 1 µm) carbon nanotubes with realistic disorder. The energetics and the influence of single defects (monovacancies and divacancies) 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–Büttiker formalism allow a statistical study of the nanotube conductance averaged over a large sample of defected tubes and thus extraction of the nanotube localization length. The cases of zero and room temperature are both addressed.|
|Description:||8 pages, 12 figures (publisher version).-- PACS nrs.: 73.63.Fg, 72.10.Fk, 73.23.-b.-- Printed version published on July 23, 2008.-- ArXiv pre-print available at: http://arxiv.org/abs/0801.2732v1|
|Publisher version (URL):||http://dx.doi.org/10.1088/0953-8984/20/29/294214|
|Appears in Collections:||(CFM) Artículos|
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