Phonon and electron transport in graphene nanoribbons

An atomistic Green's function approach to simulating electron and phonon transport in graphene nanoribbons (GNRs) is presented. Phonons are described by an empirical Force-Constant model including interactions up to the fifth nearest neighbour while the nearest neighbour tight-binding Hamiltonian is used for electrons. The model was applied to investigate the edge dependence of GNR thermoelectric properties. The factor of merit ZT appears to be strongly enhanced in mixed-edge ribbons.