Contact Dependence of Carrier Injection in Carbon Nanotubes: AnAb InitioStudy
- 23 February 2006
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 96 (7) , 076802
- https://doi.org/10.1103/physrevlett.96.076802
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.All Related Versions
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