Electronic and transport properties of phosphorene nanoribbons
Electronic and transport properties of phosphorene nanoribbons
复制标题
DOI：
10.1103/physrevb.92.035436
复制
发表时间：
2015-07-28
影响因子：
3.7
通讯作者：
Feng, Yuan Ping
中科院分区：
文献类型：
--
作者：
Wu, Qingyun;Shen, Lei;Feng, Yuan Ping
结合密度泛函理论和非平衡格林函数，研究了单层黑磷纳米带（pnr）的电子和输运性质。首先，我们研究了pnr的带隙及其受带宽度和外部横向电场的调制。我们的计算表明，pnr中存在巨大的斯塔克效应，它可以在低偏压下打开半导体pnr的输运通道，从而诱导绝缘体-金属转变。接下来，我们通过计算电流密度和局部电子传输路径来研究pnr中的传输通道。与石墨烯和二硫化钼纳米带相比，低偏压下的载流子输运通道主要位于扶手状和之字形纳米带的内部，并且不受少量边缘缺陷的影响。最后，利用大电场调谐效应，提出了一种基于pnr的双栅场效应晶体管器件，其通断比高达10(3)。
By combining density functional theory and nonequilibrium Green's function, we study the electronic and transport properties of monolayer black phosphorus nanoribbons (PNRs). First, we investigate the band gap of PNRs and its modulation by the ribbon width and an external transverse electric field. Our calculations indicate a giant Stark effect in PNRs, which can switch on transport channels of semiconducting PNRs under low bias, inducing an insulator-metal transition. Next, we study the transport channels in PNRs via the calculations of the current density and local electron transmission pathway. In contrast to graphene and MoS2 nanoribbons, the carrier transport channels under low bias are mainly located in the interior of both armchair and zigzag PNRs, and immune to a small amount of edge defects. Last, a device of the PNR-based dual-gate field-effect transistor, with high on/off ratio of 10(3), is proposed based on the giant electric-field tuning effect.