Dresden 2006 – scientific programme

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TT: Tiefe Temperaturen

TT 9: Transport: Nanoelectronics III - Molecular Electronics

TT 9.7: Talk

Monday, March 27, 2006, 15:30–15:45, HSZ 304

Contact dependence of carrier injection in carbon nanotubes: An ab initio study — •Norbert Nemec¹, David Tománek², and Gianaurelio Cuniberti¹ — ¹Institut für theoretische Physik, Universität Regensburg, 93040 Regensburg — ²Physics and Astronomy Department, Michigan State University, East Lansing, Michigan 48824-2320

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.