An Extended Huckel Theory based Atomistic Model for Graphene Nanoelectronics

Abstract

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.

5 pages, 8 figures

References in corpus (5)

• Biased bilayer graphene: semiconductor with a gap tunable by electric field effect
• Ab Initio Theory of Gate Induced Gaps in Graphene Bilayers
• Extended Huckel theory for bandstructure, chemistry and transport. I. Carbon Nanotubes
• Theoretical study of isolated dangling bonds, dangling bond wires and dangling bond clusters on H:Si(100)-(2$\times$1) surface
• Incoherent Transport through Molecules on Silicon in the vicinity of a Dangling Bond

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