We present a theoretical study of the effect of defects on the charge-transport properties of gate-all-around graphene nanoribbons field-effect transistors. Electronic transport is treated atomistically using an efficient method we have recently proposed that makes use of a Bloch-wave basis obtained from empirical pseudopotentials and solves the Schrödinger equation with open boundary conditions using the quantum transmitting boundary method. The defects considered here consist in single vacancies at different locations in the ribbon (center and edge of the ribbon; in the source or drain regions or along the channel). We have found that vacancies located at different locations along the ribbon width alter differently the Kekulé patterns: Defects at the edge reduce the \(I_{\mathrm{on}}/I_{\mathrm{off}}\) more than defects located near the center of the ribbon, and the effect is stronger in narrow ribbons. These results show that any proposed technology based on graphene nanoribbons must be able to control the quality of the material down to a single atom.

我们提出了缺陷对全栅石墨烯纳米带场效应晶体管的电荷传输特性的影响的理论研究。我们最近提出了一种有效的方法，以原子方式处理电子传输，该方法利用从经验伪势获得的Bloch波基础，并使用量子传输边界方法求解具有开放边界条件的Schrödinger方程。这里考虑的缺陷包括在带中不同位置（带的中心和边缘；在源极或漏极区域或沿沟道）的单个空位。我们发现，沿着碳带宽度位于不同位置的空位会改变Kekulé模式的变化：边缘缺陷减少了\（I _ {\ mathrm {on}} / I _ {\ mathrm {off}} \\）不仅比色带中心附近的缺陷多，而且在窄色带中效果更佳。这些结果表明，任何基于石墨烯纳米带的拟议技术都必须能够将材料的质量控制到单个原子。