An Extended Huckel Theory based Atomistic Model for Graphene Nanoelectronics

Details An Extended Huckel Theory based Atomistic Model for Graphene Nanoelectronics An Extended Huckel Theory based Atomistic Model for Graphene Nanoelectronics

2008-01-07

arxiv.org/abs/0801.1125v1

J. Comp. Elec. 7, 372 (2008).

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

5 pages, 8 figures

Scientific paper

10.1007/s10825-008-0180-z

An 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.

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