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.

本文使用密度泛函理论（DFT）和非平衡格林函数（NEGF）框架研究了Zigzag GaN纳米带（ZGaNNR）。我们已经计算出各种Fe-ZGaNNR配置的结构，电子和传输性能。基于结合能（\（E_ {B} \））计算中，观察到Fe掺杂@Ga_edge ZGaNNR（-6.51eV）在不同配置之间在结构上最稳定。我们的发现表明，与原始构型相比，取代的Fe钝化提供了稳定的键合。不同构型的磁矩取决于Fe原子的位置。在自旋模态的退化状态中观察到了不连续性，其不连续性随后是它们各自的状态密度（DOS）和投影的状态密度（PDOS）。发现Fe-termination @ N_edge ZGaNNR是磁稳定的强大候选材料。在Fe-termination @ both_the_edges ZGaNNR配置中观察到高金属性。当电流遵循纯线性行为时，通过电流-电压特性可以进一步验证这一点。