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

Y. Hancock, A. Uppstu, K. Saloriutta, A. Harju, M.J. Puska

Research output: Contribution to journalArticleScientificpeer-review

99 Citations (Scopus)
107 Downloads (Pure)

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.
Original languageEnglish
Article number245402
Pages (from-to)1-6
Number of pages6
JournalPhysical Review B
Volume81
Issue number24
DOIs
Publication statusPublished - 1 Jun 2010
MoE publication typeA1 Journal article-refereed

Keywords

  • graphene
  • transport

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