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扭曲双层石墨烯纳米带中的局域原子形态分辨边缘态。

Local atomic-morphology-resolved edge states in twisted bilayer graphene nanoribbons.

机构信息

School of Physics and Electrical Engineering, Liupanshui Normal University, Liupanshui 553004, People's Republic of China.

School of Sciences, Shaoyang University, Shaoyang 422001, People's Republic of China.

出版信息

J Phys Condens Matter. 2022 Nov 25;35(3). doi: 10.1088/1361-648X/aca134.

DOI:10.1088/1361-648X/aca134
PMID:36347045
Abstract

We study the properties of edge states for a selected (10,1)[(4,3)] twisted bilayer graphene (TBG) nanoribbon with minimal edges but a majority of zigzag edges. By using the tight-binding and Green's function methods, we find a remarkable rule of a local electronic transfer for the edge states. As the energy away from the Fermi level, the transfer is in the order of convex AB-, concave AB-, concave AA- and convex AA-stacked regions of the ribbon curve edges. We illustrate that this rule comes from the difference in interlayer couplings among the four types of local geometries at edges. Further, an in-plane transverse electric field can rearrange the edge bands and enlarge the energy regimes, leading to the lowest energy states modified from AB-stacked edge states to AA-stacked ones. The realignment of the edge bands results from the interplay between the interlayer coupling and the potential difference induced by the transverse electric field, which results in different bonding and antibonding edge states, i.e. the edge bands. In contrast, the total energy regime of the edge bands remain nearly unchanged under a relative strong off-plane perpendicular electric field, and the typical AA-stacked edge states are still maintained even the rotational symmetry of two layers is broken. Until a sufficiently strong value, the TBG nanoribbon tends to behave as two noninteracting monolayer ribbons except for a band distortion in low-energy regime. The conductance spectra reflects the edge bands well. We also discussed the influence of edge defects in the TBG nanoribbon on transport properties. It is found that the contributed conductance of each type of edge states shows different degrees of suppression for a monatomic vacancy in the corresponding region of edges.

摘要

我们研究了具有最小边缘但大部分为锯齿边缘的选定 (10,1)[(4,3)]扭曲双层石墨烯 (TBG) 纳米带的边缘态性质。通过使用紧束缚和格林函数方法,我们发现了边缘态的局部电子转移的一个显著规律。随着能量远离费米能级,转移的顺序为带曲线边缘的凸 AB-、凹 AB-、凹 AA-和凸 AA-堆叠区域。我们说明这个规律来自于边缘处四种局部几何形状的层间耦合差异。此外,面内横向电场可以重新排列边缘能带并扩大能量范围,导致最低能量状态从 AB 堆叠边缘状态修改为 AA 堆叠状态。边缘能带的重新排列来自于层间耦合和横向电场引起的电势差之间的相互作用,这导致了不同的键合和反键合边缘态,即边缘能带。相比之下,在相对较强的离平面垂直电场下,边缘能带的总能量范围几乎保持不变,即使两层的旋转对称性被破坏,典型的 AA 堆叠边缘态仍然保持不变。直到达到足够强的值,TBG 纳米带除了在低能区的能带扭曲外,倾向于表现为两个非相互作用的单层带。电导谱很好地反映了边缘能带。我们还讨论了 TBG 纳米带中边缘缺陷对输运性质的影响。发现每种类型的边缘态的贡献电导在相应边缘区域的单原子空位中表现出不同程度的抑制。

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