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

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Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2010-06-01
Major/Subject
Mcode
Degree programme
Language
en
Pages
6
1-6
Series
PHYSICAL REVIEW B, Volume 81, issue 24
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.
Description
Keywords
graphene, transport
Other note
Citation
Hancock, Y, Uppstu, A, Saloriutta, K, Harju, A & Puska, M J 2010, ' Generalized tight-binding transport model for graphene nanoribbon-based systems ', Physical Review B, vol. 81, no. 24, 245402, pp. 1-6 . https://doi.org/10.1103/PhysRevB.81.245402