Abstract
The scaling-down of devices to the atomistic scale lets them operate close to their ballistic limit. At these dimensions the resistance of the entire system is dominated by the contacts. In this paper we describe a simulation tool by which the metal-nanotube heterostructure is modeled atomistically in its entirety, so that contact properties and the associated contact resistances can be explored for different contact materials. We show results for a self-consistently calculated current-voltage (I-V) for an armchair tube with its open ends contacted to gold-[111] surface.
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Kienle, D., Ghosh, A.W. Atomistic Modeling of Metal-Nanotube Contacts. J Comput Electron 4, 97–100 (2005). https://doi.org/10.1007/s10825-005-7116-7
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DOI: https://doi.org/10.1007/s10825-005-7116-7