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扭曲双层双层石墨烯中的莫尔平带

Moiré Flat Bands in Twisted Double Bilayer Graphene.

作者信息

Haddadi Fatemeh, Wu QuanSheng, Kruchkov Alex J, Yazyev Oleg V

机构信息

Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland.

National Centre for Computational Design and Discovery of Novel Materials MARVEL, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland.

出版信息

Nano Lett. 2020 Apr 8;20(4):2410-2415. doi: 10.1021/acs.nanolett.9b05117. Epub 2020 Mar 6.

Abstract

We investigate twisted double bilayer graphene (TDBG), a four-layer system composed of two AB-stacked graphene bilayers rotated with respect to each other by a small angle. Our ab initio band structure calculations reveal a considerable energy gap at the charge-neutrality point that we assign to the intrinsic symmetric polarization (ISP). We then introduce the ISP effect into the tight-binding parametrization and perform calculations on TDBG models that include lattice relaxation effects down to very small twist angles. We identify a narrow region around the magic angle characterized by a manifold of remarkably flat bands gapped out from other states even without external electric fields. To understand the fundamental origin of the magic angle in TDBG, we construct a continuum model that points to a hidden mathematical link to the twisted bilayer graphene model, thus indicating that the band flattening is a fundamental feature of TDBG and is not a result of external fields.

摘要

我们研究了扭曲双双层石墨烯(TDBG),它是一种由两个AB堆叠的石墨烯双层相互以小角度旋转组成的四层系统。我们的从头算能带结构计算揭示了在电荷中性点处存在可观的能隙,我们将其归因于本征对称极化(ISP)。然后,我们将ISP效应引入紧束缚参数化,并对TDBG模型进行计算,这些模型包括直至非常小的扭曲角的晶格弛豫效应。我们确定了围绕魔角的一个狭窄区域,其特征是即使没有外部电场,也有一系列与其他状态有能隙的非常平坦的能带。为了理解TDBG中魔角的基本起源,我们构建了一个连续模型,该模型指出了与扭曲双层石墨烯模型的隐藏数学联系,从而表明能带扁平化是TDBG的一个基本特征,而不是外部场的结果。

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