B and N codoping effect on electronic transport in carbon nanotubes

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