Modeling the charge transport in defected crossed graphene nanoribbon junctions for nano devices

In this work we have modeled and simulated the electronic charge transport properties for a crossed junction of Graphene NanoRibbons (GNR) with different geometries using first-principle calculations and Nonequilibrium Green´s function (NEGF) method. We modeled the Cross junction of two Armchair (4, 4) Graphene Nanoribbon strips using semiempirical Extended Huckle Theory (EHT) within the framework of non-equilibrium green function (NEGF). The simulations were carried in Device mode using Atomistic Tool Kit (ATK-12.8.2) and its graphical interface (custom analyzer) Virtual Nano Lab till the self-consistent results was reached. The effect of the change in conductance and I-V characteristics of the junction was visualized for various transport parameters. The distinct changes in conductance and NDR behavior reported as the positions of stem was varied in left, right, upward and downward where the shoulder is Pure or Defected AGNR fixed between two electrodes at different bias voltages from -1V to 1 V with steps of .20 V. This suggested conductance controlled mechanism and NDR behavior for the charge transport in the cross junctions at different positions is important for the design of graphene based nano electronic devices.