Electronic properties and spintronic applications of r-N-graphyne nanoribbons

Similar to pure graphyne, two-dimension carbon nitride graphyne also possesses exceptional properties and potential applications. In this work, by using the density functional theory (DFT) and combining with nonequilibrium Green's function (NEGF), we study the electronic band structures and transport properties of zigzag rhombic N-graphyne nanoribbons (ZrNGYNRs). Our results show that all of the ZrNGYNRs have similar metallic band structures in no magnetic and ferromagnetic configuration, while the transport properties are directly related to the symmetry of the systems. The electron band structure exhibits a distinct spin splitting in the ferromagnetic state. We propose a device by cutting the ZrNGYNRs in the central scattering region. Negative differential resistance, rectification effects, and spin-filtering effects can be observed in this device. This work highlights the outstanding physics of ZrNGYNRs, and suggest that the ZrNGYNRs is a very promising material in the application of nanoelectronics.

Automated summary

Using density functional theory (DFT) and non-equilibrium Green's function (NEGF), this study investigates the electronic band structures and transport properties of zigzag rhombic N-graphyne nanoribbons (ZrNGYNRs). The results reveal metallic band structures in ZrNGYNRs with different symmetries and distinct spin splitting in the ferromagnetic state, suggesting potential applications in nanoelectronics.