Fe-functionalized zigzag GaN nanoribbon for nanoscale spintronic/interconnect applications

The paper investigated the Zigzag GaN nanoribbons (ZGaNNR) using the density functional theory(DFT) and non equilibrium Green's function(NEGF) framework. We have calculated the structural, electronic and transport properties of various Fe-ZGaNNR configurations. Based on the binding energy(E-B) calculations, Fe-doped@Ga_edge ZGaNNR(-6.51eV) is observed to be most structurally stable among different configurations. Our findings show the substitutional Fe passivation provides a stable bonding as compared to pristine configuration. The magnetic moment of different configurations depends upon the position of Fe atom. The discontinuity is observed in degenerative states of spin modes and same is follows by their respective density of states(DOS) and projected density of states(PDOS). Fe-termination@N_edge ZGaNNR is found to be a strong candidate for magnetic stabilization. High metallicity is observed in Fe-termination@both_the_edges ZGaNNR configuration. Further same is verified through current-voltage characteristics as current follow the pure linear behaviour. The practical application of the work on ZGaNNR can serve as a potential candidate for future low bias nanoscale spitronic devices and low power high speed interconnect applications.

Automated summary

By investigating Zigzag GaN nanoribbons using DFT and NEGF framework, the study found that Fe doping can enhance the structural stability of ZGaNNR and the magnetic moment of different configurations depends on the position of Fe atom. Fe-termination@N_edge ZGaNNR is considered a strong candidate for magnetic stabilization, while Fe-termination@both_the_edges ZGaNNR exhibits high metallicity.