Modified NEGF method for atomistic modeling of field emission from carbon nanotube

A model to simulate the atomistic properties of the field emission (FE) from a zigzag-single walled carbon nanotube (Z-SWCNT) is presented. By a modification of the self-energy in non-equilibrium Green's function (NEGF) method, we simulated the field emission current, considering the quantum transport of electrons within the CNT. The paper involves investigation on the effect of the n index of the (n,0) Z-SWCNT and the number of carbon dimers in the length direction as well as the anode-cathode separation on the FE current. Effect of additional gate voltage and substitutional impurities on the FE current is also studied. A comparison between the experimental data and simulation results are also included in the paper. The model can be used to consider different quantum effects of the atomistic emitter structure on the FE current.