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

• Published in: Physica. E, Low-dimensional systems & nanostructures Low-dimensional systems & nanostructures, 2022-02, Vol.136, p.115003, Article 115003
• Main Authors: Xu, Chengke, Ning, Ping, Luo, Chenxi, Cao, Liemao, Deng, Xiaohui, Zhou, Guanghui
• Format: Article
• Language: English
• Subjects: DFT; Graphyne; Negative differential resistance; Spin-filtering and rectification
• ISSN: 1386-9477; 1873-1759
• DOI: 10.1016/j.physe.2021.115003

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. •First numerical simulation on the electronic property for zigzag-edge rhombic N-graphyne nanoribbons.•A proposed junction based on zigzag-edge rhombic N-graphyne nanoribbon symmetrically with good circuit performance.•The spin-filtering efficiency can be up to 100%, and the maximum of rectification ratio reaches up to 107.