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

URN zum Zitieren dieses Dokuments:: urn:nbn:de:bvb:355-epub-17608
DOI zum Zitieren dieses Dokuments:: 10.5283/epub.1760

Nemec, Norbert ; Tomanek, David ; Cuniberti, Gianaurelio

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Veröffentlichungsdatum dieses Volltextes: 05 Aug 2009 13:32

Alternative Links zum Volltext:Arxiv Verlag

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We combine {\it 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 ...