B and N codoping effect on electronic transport in carbon nanotubes

Résultats de recherche: Contribution à un journal/une revueArticle

Résumé

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

langue originaleAnglais
Numéro d'article193411
journalPhysical Review B - Condensed Matter and Materials Physics
Volume81
Numéro de publication19
Les DOIs
étatPublié - 28 mai 2010

Empreinte digitale

Quantum electronics
Carbon Nanotubes
Green's function
Transport properties
Density functional theory
Carbon nanotubes
carbon nanotubes
Doping (additives)
Atoms
Electrons
electronics
quantum electronics
conduction electrons
parity
Green's functions
transport properties
density functional theory
atoms
simulation
energy

Citer ceci

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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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T1 - B and N codoping effect on electronic transport in carbon nanotubes

AU - Khalfoun, Hafid

AU - Hermet, Patrick

AU - Henrard, Luc

AU - Latil, Sylvain

PY - 2010/5/28

Y1 - 2010/5/28

N2 - 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

AB - 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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DO - 10.1103/PhysRevB.81.193411

M3 - Article

VL - 81

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

SN - 2469-9950

IS - 19

M1 - 193411

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