Hydrogenated cove-edge aluminum nitride nanoribbons for ultrascaled resonant tunneling diode applications: a computational DFT study

While synthesizing quasi-one-dimensional nanoribbons, there is a finite probability that edges have cove-edge defects. This paper focuses on the structural, electronic, and transport properties of cove-edge aluminum nitride nanoribbons (AlNNR) using density functional theory and the non-equilibrium Green’s function (NEGF) method. The cove-edge AlNNRs are thermodynamically stable and exhibit metallic behavior. Interestingly, the calculated current-voltage characteristics of the cove-edge AlNNR-based nanodevices show negative differential resistance (NDR). The H-AlN-Cove nanodevice exhibits high peak-to-valley current ratio (PVCR) of the order of 10⁷. The calculated PVCR of the H-AlN-Cove nanodevice is 10⁶ times higher than that of the silicene nanoribbon (SiNR) and graphene nanoribbon (GNR), and 10⁴ times higher than that of the phosphorene nanoribbon (PNR) and arsenene nanoribbons (ANR)-based devices respectively. The NDR feature with high PVCR provides a prospect for the cove-edge AlNNR in nanodevice applications.