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

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

2005-12-16

arxiv.org/abs/cond-mat/0512396v2

Physical Review Letters 96, 076802 (2006)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

final version, including minor corrections by editor

Scientific paper

10.1103/PhysRevLett.96.076802

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.

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