Contact dependence of carrier injection in carbon nanotubes: An ab initio study


International Winterschool on Electronic Properties of Novel Materials 2006 | event contribution
March 4, 2006 - March 11, 2006 | Kirchberg, Austria

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' metalnanotube contact combines a weak hybridization with a large contact length between the metal and the nanotube.


Authors

Contact dependence of carrier injection in carbon nanotubes: An ab initio study


International Winterschool on Electronic Properties of Novel Materials 2006 | event contribution
March 4, 2006 - March 11, 2006 | Kirchberg, Austria

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' metalnanotube contact combines a weak hybridization with a large contact length between the metal and the nanotube.


Authors