B and N codoping effect on electronic transport in carbon nanotubes

Hafid Khalfoun, Patrick Hermet, Luc Henrard, and Sylvain Latil
Phys. Rev. B 81, 193411 – Published 28 May 2010

Abstract

We present here an analysis of the electronic-quantum properties of B and N codoping of carbon nanotubes. We show that BN pairs are transparent for conduction electrons. Localized transport phenomena, observed for isolated B or N doping, are recovered when B and N atoms are far apart. We also analyze the effect of BN nanodomains on the quantum conductance and demonstrate the drastic effect of the B-N “parity” and of the shape of the domain. Our simulations have been performed at the density-functional-theory level and within Green’s function Landauer approach. However, we show that a one-parameter (on-site energy) model could catch the main features of the transport properties of BN codoping effect on electronic transport

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  • Received 4 May 2010

DOI:https://doi.org/10.1103/PhysRevB.81.193411

©2010 American Physical Society

Authors & Affiliations

Hafid Khalfoun*, Patrick Hermet, and Luc Henrard

  • Research Center in Physics of Matter and Radiation (PMR), University of Namur-FUNDP, Rue de Bruxelles 61, 5000 Namur, Belgium

Sylvain Latil

  • CEA, IRAMIS, SPCSI, LNOSC, F-91191 Gif-sur-Yvette Cedex, France

  • *Permanent address: Laboratoire de Physique Théorique et Physique des Matériaux, Faculté des sciences et des sciences de l’Ingénieur, Université Hassiba Benbouali, Chlef, Algeria.
  • Present address: Institut de Physique, University of Liege, 4000 Sart Tilman, Belgium.

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Issue

Vol. 81, Iss. 19 — 15 May 2010

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