Generalized tight-binding transport model for graphene nanoribbon-based systems
Loading...
Access rights
© 2010 American Physical Society (APS). This is the accepted version of the following article: Hancock, Y. & Uppstu, A. & Saloriutta, K. & Harju, A. & Puska, Martti J. 2010. Generalized tight-binding transport model for graphene nanoribbon-based systems. Physical Review B. Volume 81, Issue 24. 245402/1-6. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.81.245402, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.81.245402.
Journal Title
Journal ISSN
Volume Title
School of Science |
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Unless otherwise stated, all rights belong to the author. You may download, display and print this publication for Your own personal use. Commercial use is prohibited.
Date
2010
Major/Subject
Mcode
Degree programme
Language
en
Pages
245402/1-6
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, Martti J. 2010. Generalized tight-binding transport model for graphene nanoribbon-based systems. Physical Review B. Volume 81, Issue 24. 245402/1-6. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.81.245402.
