Device Modeling Lab, SASTRA Deemed University, Thirumalaisamudram, Thanjavur, 613401, Tamil Nadu, India.
Phys Chem Chem Phys. 2018 May 30;20(21):14855-14863. doi: 10.1039/c8cp01435c.
This work examines the prospect of phosphorene antidot nanoribbons (PANRs) using the density functional based tight binding (DFTB) method. Horizontally perforated PANRs with both armchair (A) and zigzag (Z) configurations were considered for electrical simulations. Our simulation results found that the APANRs cannot be scaled down with nanoribbon width, whereas ZPANRs can be scaled easily. Bandgap scaling in terms of ribbon width, length and antidot number was thoroughly analyzed for ZPANRs. In the end, a two-terminal device was constructed and transmission analysis was performed using the non-equilibrium Green's function (NEGF) methodology. A negative differential resistance (NDR) region appeared in the current-voltage characteristics of the ZPANRs, which paved a pathway for nano-device application.
本工作使用基于密度泛函理论的紧束缚（DFTB）方法研究了磷烯纳米带（PANRs）的前景。我们考虑了具有扶手椅（A）和锯齿（Z）构型的水平穿孔 PANRs 进行电模拟。我们的模拟结果发现，APANRs 不能随着纳米带宽度缩小，而 ZPANRs 则很容易缩小。我们彻底分析了 ZPANRs 的带隙随带宽度、长度和反点子数的缩小。最后，构建了一个两端器件，并使用非平衡格林函数（NEGF）方法进行了传输分析。ZPANRs 的电流-电压特性中出现了负微分电阻（NDR）区域，为纳米器件的应用开辟了道路。
