An Extended Huckel Theory based Atomistic Model for Graphene Nanoelectronics

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dc.creatorRaza, Hassan
dc.creatorKan, Edwin C.
dc.date2008-01-07
dc.date.accessioned2026-07-07T09:58:33Z
dc.date.available2026-07-07T09:58:33Z
dc.descriptionAn atomistic model based on the spin-restricted extended Huckel theory (EHT) is presented for simulating electronic structure and I-V characteristics of graphene devices. The model is applied to zigzag and armchair graphene nano-ribbons (GNR) with and without hydrogen passivation, as well as for bilayer graphene. Further calculations are presented for electric fields in the nano-ribbon width direction and in the bilayer direction to show electronic structure modification. Finally, the EHT Hamiltonian and NEGF (Nonequilibrium Green's function) formalism are used for a paramagnetic zigzag GNR to show 2e2/h quantum conductance.
dc.description5 pages, 8 figures
dc.identifierhttps://arxiv.org/abs/0801.1125
dc.identifierhttp://arxiv.org/abs/0801.1125
dc.identifierJ. Comp. Elec. 7, 372 (2008).
dc.identifierdoi:10.1007/s10825-008-0180-z
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/167760
dc.subjectMesoscale and Nanoscale Physics
dc.subjectMaterials Science
dc.titleAn Extended Huckel Theory based Atomistic Model for Graphene Nanoelectronics
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