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American Physical Society, Physical review B, 24(81), 2010

DOI: 10.1103/physrevb.81.245402

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Generalized tight-binding transport model for graphene nanoribbon-based systems

Journal article published in 2010 by Y. Hancock, A. Uppstu, K. Saloriutta, A. Harju ORCID, Martti J. Puska
This paper is available in a repository.
This paper is available in a repository.

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Abstract

An extended tight-binding model that includes up to third-nearest-neighbor hopping and a Hubbard mean-field interaction term is tested against ab initio local spin-density approximation results of band structures for armchair- and zigzag-edged graphene nanoribbons. A single tight-binding parameter set is found to accurately reproduce the ab initio results for both the armchair and zigzag cases. Transport calculations based on the extended tight-binding model faithfully reproduce the results of ab initio transport calculations of graphene nanoribbon-based systems. ; Peer reviewed