H/O Edge Passivated B/N Co-Doped Armchair Graphene Nanoribbon Field-Effect Transistors, Based on First Principles.

Abstract This study employs the nonequilibrium Green’s function method in conjunction with density functional theory to fabricate and analyze a Graphene Nanoribbon Field-Effect Transistor (GNRFET). The co-doping of B and N creates built-in electric fields, thereby reducing leakage current. The results demonstrate effective control performance of planar gates, as evidenced by an increase in I DS with rising gate voltage. Furthermore, a negative differential conductance phenomenon is observed at bias voltages exceeding 0.7 V, exhibiting correlation with transmission spectra and energy band structures. To precisely illustrate the electron distribution within the doped scattering region, calculations involving transport paths, the molecular projection self-consistent Hamiltonian (MPSH), and the emission eigenvalues and eigenstates of the device are conducted. This research provides a reference for exploring and developing smaller and more energy-efficient AGNR field effect transistor designs and implementations. The principal objective of this paper is to investigate the potential applications of these smaller, more energy-efficient devices.