Perfect Spin Filtering, Giant Magnetoresistance, and Rectification Behavior Induced by V‐Doped Zigzag Graphene Nanoribbons

Employing the constructs of density functional theory (DFT) and the Nonequilibrium Green's Function (NEGF), the investigation extensively explores the electronic and transport properties of zigzag graphene nanoribbons (ZGNRs) doped with vanadium (V). Notably, this inquiry unveils that strategic doping can transform V‐doped ZGNRs into spintronic nanodevices with distinctive transport attributes. Initially, the simulations showcase remarkably high spin‐filtering efficiencies (SFEs) at certain bias voltages. Furthermore, a giant magnetoresistance (GMR) peaking at 6.87 ×$\times$ 103$^3$ is detected. In conclusion, the examination discerns a spin rectifier that exhibits a significant rectification ratio (RR) of 9.62 ×$\times$ 102$^2$. This research delineates a viable trajectory for the refinement of high‐performance spintronics in ZGNRs via vanadium doping. The implications of this study indicate that the model harbors considerable promise for application in miniature spintronic devices. Four models of vanadium‐doped zigzag graphene nanoribbons (ZGNRs) with different spacings of vanadium atoms: 2d$d$, d$d$, d/2$d/2$, and a zigzag pattern (ZZP) are explored. Only the d$d$‐V‐ZGNRs show metallic behavior for spin‐up electrons. Using DFT and NEGF, it is found that high spin‐filtering efficiencies, giant magnetoresistance, and significant spin rectification make these models promising for spintronic devices.