N-Doped Zigzag Graphene Nanoribbons For Nanoscale Interconnects

Abstract

The density-functional theory-based investigations of Nitrogen (N) doping effect on the electron transport and the dynamical parameter of Zigzag graphene Nanoribbon (ZGNR), has been performed to improvise it suitability as interconnects. Three possibilities of N impurities around a monovacancy have been investigated in terms of stability, electronic, and transport properties of GNR. The Formation-energy calculations suggest that the formation of the pyridine-type defects with nitrogen doping is energetically more favorable in the presence of a vacancy in comparison to its pristine counterpart. From the electronic bandstructure and density of states analysis, we have found that metallicity of the ZGNR increases with N doping, and from the transport properties analysis, it is found that monovacancy with two nitrogen-doped (Pyr-2N) results in higher current with a constant slope, defends its suitability for nanoscale interconnects.