Atomistic NEGF Simulations of Carbon Nano-Ribbons in Magnetic FieldsOther Nanotechnology Publications
AbstractThe non-equilibrium Green’s function (NEGF) approach has been employed in the simulation of Carbon Nano Ribbon (CNR) structures in magnetic fields (B) within the ballistic regime. Both the armchair edge (ACNR) and the zigzag edge (ZCNR) have been considered. The electronic structure is represented by the atomistic nearest-neighbor tight-binding Hamiltonian with a single pz orbital basis. The magnetic field is included in the tight-binding Hamiltonian through Peierls substitution, t exp (i(2p e / h)∫ A.dl ) . Two numerical methods have been employed in the calculation of contact self-energies: (a) the conventional surface Green’s function technique and (b) the Sancho-Rubio algorithm . We used the recursive Green’s function (RGF) algorithm  which relaxes the memory constraints while simulating realistically extended structures on the order of tens of nanometers. Use of large dimensions in the simulation is crucial in order to capture the experimentally observed quantum Hall effect in realistic magnetic fields within 10– 20T.
Date of this Version10-7-2008
Citation InformationRoksana Golizadeh-Mojarad, A.N.M. Zainuddin, Shaikh S. Ahmed, Gerhard Klimeck, et al.. "Atomistic NEGF Simulations of Carbon Nano-Ribbons in Magnetic Fields" (2008)
Available at: http://works.bepress.com/gerhard_klimeck/181/