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

Y. Hancock, A. Uppstu, K. Saloriutta, A. Harju, and M. J. Puska
Phys. Rev. B 81, 245402 – Published 1 June 2010

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.

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  • Received 30 January 2010

DOI:https://doi.org/10.1103/PhysRevB.81.245402

©2010 American Physical Society

Authors & Affiliations

Y. Hancock1,2,*, A. Uppstu1, K. Saloriutta1, A. Harju1,3, and M. J. Puska1

  • 1Department of Applied Physics, Aalto University, School of Science and Technology, P.O. Box 11100, FIN-00076 AALTO, Finland
  • 2Department of Physics, The University of York, York YO10 5DD, United Kingdom
  • 3Helsinki Institute of Physics, Aalto University, School of Science and Technology, P.O. Box 11100, FIN-00076 AALTO, Finland

  • *yh546@york.ac.uk

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Vol. 81, Iss. 24 — 15 June 2010

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