Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/57176
Title: Quantum transport simulations of graphene nanoribbon devices using dirac equation calibrated with tight-binding π-bond model
Authors: Chin, S.-K.
Lam, K.-T.
Seah, D.
Liang, G. 
Keywords: Dirac equation
Graphene nanoribbons
Non-equilibrium green's function
Quantum transport
Issue Date: 2012
Citation: Chin, S.-K., Lam, K.-T., Seah, D., Liang, G. (2012). Quantum transport simulations of graphene nanoribbon devices using dirac equation calibrated with tight-binding π-bond model. Nanoscale Research Letters 7 : -. ScholarBank@NUS Repository.
Abstract: We present an efficient approach to study the carrier transport in graphene nanoribbon (GNR) devices using the non-equilibrium Green's function approach (NEGF) based on the Dirac equation calibrated to the tight-binding π-bond model for graphene. The approach has the advantage of the computational efficiency of the Dirac equation and still captures sufficient quantitative details of the bandstructure from the tight-binding π-bond model for graphene. We demonstrate how the exact self-energies due to the leads can be calculated in the NEGF-Dirac model. We apply our approach to GNR systems of different widths subjecting to different potential profiles to characterize their device physics. Specifically, the validity and accuracy of our approach will be demonstrated by benchmarking the density of states and transmissions characteristics with that of the more expensive transport calculations for the tight-binding π-bond model. © 2012 Chin et al.
Source Title: Nanoscale Research Letters
URI: http://scholarbank.nus.edu.sg/handle/10635/57176
ISSN: 19317573
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