Extended Hückel theory for electronic transport in carbon nanotubes with metal contacts
نویسندگان
چکیده
In the present work we use a selfconsistent version of the EHT to study the electronic transport in metallic carbon nanotubes (CNTs) with various metallic electrodes (Al, Cu, Pd, Pt, Ag, Au). While the electronic structure of the metals is well described by the extended Hückel (EH) parameters of Cerdá [1], we show that a new parameter set for carbon strongly improves the agreement between EHT and DFT for small-diameter CNTs by taking into account the curvature of the tubes.
منابع مشابه
Extended Hückel theory for band structure, chemistry, and transport. I. Carbon nanotubes
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