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中国物理学会期刊

石墨烯线缺陷局域形变对谷输运性质的影响

CSTR: 32037.14.aps.72.20230736

Influence of local deformation on valley transport properties in the line defect of graphene

CSTR: 32037.14.aps.72.20230736
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  • 石墨烯线缺陷在谷电子学中有非常重要的应用. 实验发现, 线缺陷附近存在局域形变. 当前研究普遍认为, 由于形变较小, 对近邻跳跃能的影响小于5%, 局域形变对谷输运性质的影响可以忽略不计. 基于第一性原理计算和非平衡格林函数方法, 本文研究了局域形变对两种不同构型线缺陷谷输运性质的影响. 结果发现, 对于58环线缺陷, 在较低能量下, 局域形变对谷隧穿系数的影响并不明显, 然而, 在较高能量下局域形变的影响非常明显, 谷隧穿系数最大值并没有随着能量升高而减小, 而是在很大能量范围内都保持不变. 进一步研究表明, 该效应是由与线缺陷相连的C—C键长发生改变造成的. 通过构建两个平行线缺陷, 可以在很大的角度范围内都实现100%谷过滤效果. 相比之下, 局域形变对57环线缺陷谷隧穿系数的影响非常小.

     

    The line defect of graphene has significant applications in valleytronics, which has received extensive attention in recent years. It is found experimentally that there exists local deformation around the line defect. Current studies generally believe that the influence of local deformation on the valley transport properties can be negligible, because the modifications to the nearest neighbour hopping energy is less than 5% under the small deformation. Based on the first-principles calculations and the non-equilibrium Green’s function method, we investigated the effect of local deformation on the valley transport properties of two different kinds of line defects, the 58 ring line defect and the 57 ring line defect. It is found that for the 58 ring line defect, the effect of local deformation on the valley transmission coefficient is not evident at lower energies. However, at higher energies, the impact of local deformation is obvious, and the maximum valley transmission coefficient does not decrease with increasing energy, but can be maintained 1 within a large energy range. In contrast, the influence of local deformation on the valley transmission coefficient of the 57 ring line defect indeed can be negligible, regardless of the level of energy. Further investigation indicates that the change of the C—C bond length connected to the two defect atoms in the 58 ring plays a key role in the transmission of the valley states across the line defect. If this part of the influence is not taken into account, the valley transmission coefficient is nearly unaffected by the local deformation. The valley state enters the right side of the line defect directly through the bond connected to the line defect, so the change in bond length connected to the line defect has a significant impact on the valley transmission. This special structure does not exist in the 57 ring, where the valley states will have to pass through a narrow region containing 57 ring to enter the right side of the line defect, resulting in different valley scattering phenomena. By constructing two parallel line defects, the 100% valley polarization can be achieved in a large angular range with the 58 ring line defect. The finding has important implications for the design of graphene line defect based valley filters.

     

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