Research output per year
Research output per year
Hafid Khalfoun, Patrick Hermet, Luc Henrard, Sylvain Latil
Research output: Contribution to journal › Article › peer-review
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 language | English |
---|---|
Article number | 193411 |
Journal | Physical Review. B, Condensed Matter and Materials Physics |
Volume | 81 |
Issue number | 19 |
DOIs | |
Publication status | Published - 28 May 2010 |
Research output: Contribution to journal › Article › peer-review
Benoît Champagne (Manager)
Technological Platform High Performance ComputingFacility/equipment: Technological Platform
Supervisor: Henrard, L. (Supervisor), Deparis, O. (President), Lepere, M. (Jury), Bouamoud, M. (External person) (Co-Supervisor) & Charlier, J. (External person) (Jury)
Student thesis: Doc types › Doctor of Sciences