  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.
