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I-V characteristics of in-plane and out-of-plane strained edge-hydrogenated armchair graphene nanoribbons

机译:面内和面外应变边缘氢化扶手椅扶手椅石墨烯纳米带的I-V特性

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摘要

The effects of tensile strain on the current-voltage (I-V) characteristics of hydrogenated-edge armchair graphene nanoribbons are investigated by using DFT theory. The strain is introduced in two different ways related to the two types of systems studied in this work: in-plane strained systems (A) and out-of-plane strained systems due to bending (B). These two kinds of strain lead to make a distinction among three cases: in-plane strained systems with strained electrodes (A1) and with unstrained electrodes (A2), and out-of-plane homogeneously strained systems with unstrained, fixed electrodes (B). The systematic simulations to calculate the electronic transmission between two electrodes were focused on systems of 8 and 11 dimers in width. The results show that the differences between cases A2 and B are negligible, even though the strain mechanisms are different: in the plane case, the strain is uniaxial along its length; while in the bent case, the strain is caused by the arc deformation. Based on the study, a new type of nanoelectromechanical system solid state switching device is proposed.
机译:利用DFT理论研究了拉伸应变对氢化边缘扶手椅石墨烯纳米带的电流-电压(I-V)特性的影响。与本工作中研究的两种类型的系统有关的应变是通过两种不同的方式引入的:面内应变系统(A)和弯曲引起的面外应变系统(B)。这两种应变导致三种情况之间的区别:带应变电极(A1)和无应变电极(A2)的面内应变系统,以及无应变,固定电极的平面外均匀应变系统(B) 。用于计算两个电极之间电子传输的系统仿真集中在宽度为8和11个二聚体的系统上。结果表明,即使应变机制不同,情况A2和情况B的差异也可以忽略不计:在平面情况下,应变沿其长度是单轴的;在平面情况下,应变沿长度是单轴的。而在弯曲情况下,应变是由电弧变形引起的。在此基础上,提出了一种新型的纳米机电系统固态开关器件。

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