Contact Dependence of Carrier Injection in Carbon Nanotubes: An Ab Initio Study

Preprint

1 March 2006

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/0512396

Abstract

We combine ab initio density functional theory with transport calculations to provide a microscopic basis for distinguishing between good and poor metal contacts to nanotubes. Comparing Ti and Pd as examples of different contact metals, we trace back the observed superiority of Pd to the nature of the metal-nanotube hybridization. Based on large scale Landauer transport calculations, we suggest that the `optimum' metal-nanotube contact combines a weak hybridization with a large contact length between the metal and the nanotube.

Keywords

DENSITY FUNCTIONAL THEORY
TRANSPORT CALCULATIONS
CARBON NANOTUBES
NANOTUBE CONTACT
CONTACT METALS
METAL NANOTUBE
HYBRIDIZATION
AB INITIO
INITIO

All Related Versions

Version 1, 2005-12-16, ArXiv
Version 2, 2006-03-01, ArXiv
Published version: Physical Review Letters, 96 (7), 076802.

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