This work investigates the structural stability, electronic and transport properties of zigzag boron nitride nanoribbons (ZBNNRs) with hydrogenation/fluorination by using density functional theory (DFT) along with non-equilibrium Green’s function (NEGF) approach. The study reveals that ZBNNRs exhibit metallic to semiconducting transition via selected edge fluorination. Interestingly, edge fluorinated ZBNNRs demonstrate high structural stability due to the higher electronegativity of fluorine. It is also revealed that negative differential resistance (NDR) has also been observed for edge fluorinated two terminal devices with enormously high peak to valley current ratio (PVCR) of the order of $10^{11}$. We have also investigated the gate controllable current–voltage (I–V) characteristics of three terminal ZBNNRs field effect transistor (FET). The selective structures exhibit excellent gate controllability which can tune the observed PVCR. Our findings indicate the potential of fluorinated ZBNNRs towards upcoming ultra fast switches, rectifiers and oscillators etc.

这项工作通过使用密度泛函理论 (DFT) 和非平衡格林函数 (NEGF) 方法研究了加氢/氟化的锯齿形氮化硼纳米带 (ZBNNRs)的结构稳定性、电子和传输特性。该研究表明，ZBNNRs 通过选择性的边缘氟化表现出金属到半导体的转变。有趣的是，由于氟具有较高的电负性，边缘氟化的 ZBNNRs 表现出很高的结构稳定性。还揭示了对于边缘氟化的两端器件也观察到负微分电阻 (NDR)，其峰谷电流比 (PVCR) 数量级为$10^{11}$. 我们还研究了三端 ZBNNR 场效应晶体管 (FET) 的栅极可控电流-电压 (I-V) 特性。选择性结构表现出优异的栅极可控性，可以调整观察到的PVCR。我们的研究结果表明，氟化 ZBNNRs 在即将推出的超快速开关、整流器和振荡器等方面具有潜力。