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Effect of Stone-Wales defects on electronic properties of armchair graphene nanoribbons

机译:石威尔氏缺陷对扶手椅形石墨烯纳米带电子性能的影响

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摘要

In this paper, the effects of Stone-Wales (SW) defect on transport properties of armchair graphene nanoribbons (AGNRs) are studied using tight binding calculations combined with nonequilibrium Green's function (NEGF). We evaluate transmission and density of states (DOS) in two cases, pristine and defective AGNR, and we compare the results. Our results indicate that in the latter case, a larger bandgap is made due to symmetry breaking in GNR layer.
机译:本文通过紧密结合计算结合非平衡格林函数(NEGF)研究了Stone-Wales(SW)缺陷对扶手椅石墨烯纳米带(AGNRs)传输性质的影响。我们评估了两种情况下的原始状态和有缺陷的AGNR的传输和状态密度(DOS),并比较了结果。我们的结果表明,在后一种情况下,由于GNR层中的对称性破坏而产生了较大的带隙。

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