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Nanoelectronic device simulation using extended Hückel theory (EHT) and NEGF

Nanoelectronic devices can be, in one way, characterized by the large surface/volume ratio in addition to the central role of quantum effects. This paper describes a computationally efficient way of obtaining the band-structure of the intrinsic device including the interface with metal contacts using the extended Huckel theory (EHT). Carrier quantum transport is then computed by NEGF (non-equilibrium Green¿s function). GNRFETs (graphene-nanoribbon FET) are simulated using this approach as an application example.