B and N codoping effect on electronic transport in carbon nanotubes

Hafid Khalfoun, Patrick Hermet, Luc Henrard, Sylvain Latil

    Research output: Contribution to journalArticlepeer-review

    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

    Original languageEnglish
    Article number193411
    JournalPhysical Review B - Condensed Matter and Materials Physics
    Volume81
    Issue number19
    DOIs
    Publication statusPublished - 28 May 2010

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