Metallic carbon nanotubes with metal contacts: electronic structure and transport

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Andreas managed to publish the main results of his PhD-thesis in a nanotechnology paper.[bibcite key=zienert2014metallic] The paper deals with the contact properties of metallic carbon nanotubes to several metals, which are of relevance for future carbon electronics. Based on a simple contact model the electron transport was calculated using an NEGF approach. Andreas used ATK’s implementation of NEGF in combination with DFT and Extended Hückel approaches for the electronic structure calculations. For the semiempirical Extended Hückel approach Andreas used his own parameter set for carbon and metals which was published in the Journal of Physical Chemistry in 2013. [bibcite key=zienert2013extended]

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