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I-V Characteristics of In-Plate Graphene Nanoribbon/h-BN Heterojunctions and Resonant Tunneling

We present here the first principle calculations of the electrical properties of in-plate heterojunctions of armchair graphene nanoribbon/h-BN(AGNR/h-BN)s. The calculations are carried out using SIESTA package, which is comprised of numerical codes of the density functional theory(DFT) and the non-equilibrium Green’s function(NEGF). Especially, adopting the conductive (3n-1)-family of AGNR((3n-1)-AGNR) makes the lead parts on both side of the model metallic. Two transverse arrays of h-BN, which is a wide-gap semiconductor, are embedded in the middle of (3n-1)-AGNR and act as a double barrier system. The quantum double barrier tunneling is found in the transmission functions(TF) and I-V characteristics of 8, 11, 14-AGNR/h-BN. The TF shows significantly spiky peaks in the neighborhood of the Fermi energy, and consequently, it results in step-sise I-V characteristics. Simple one-dimensional Dirac equation model for the double barrier system is also proposed to analyze numerical results. Our model reproduces most of the peaks of the transmission functions nearby the Fermi energy, as a result of quantum tunneling.