论文标题

扭曲多层石墨烯的电子特性

Electronic properties of twisted multilayer graphene

论文作者

Nguyen, V. Hung, Hoang, Trinh X., Charlier, J. -C.

论文摘要

扭曲的双层石墨烯显示出许多引人入胜的特性,可以通过改变其单层之间的相对角(也称为扭角)来调整这些特性。作为一个了不起的特征,电子平面​​波段和相应的强电子定位均以特定的“魔术”角($ \ sim 1.1^{\ circ} $)获得,从而导致观察几种强相关的电子现象。因此,这种发现启发了一个名为Twistronics的新型研究领域的创建,即,旨在在调整相关层之间的扭曲角度时,探索垂直堆叠的2D结构中的新型物理特性。在本文中,基于原子计算,介绍了与扭曲多层石墨烯(TMG)的电子特性有关的全面和系统研究。分析了全局和局部电子数量对扭角和堆叠构型的依赖性,并完全考虑到原子重建效应。因此,阐明了结构和电子特性之间的相关性,从而突出了各种TMG系统之间的共同特征和差异,并提供了全面且必不可少的概述。根据这些调查,讨论了电子特性的可能性,从而在二型跨学领域进行了进一步的发展。

Twisted bilayer graphene displays many fascinating properties that can be tuned by varying the relative angle (also called twist angle) between its monolayers. As a remarkable feature, both the electronic flat bands and the corresponding strong electron localization have been obtained at a specific "magic" angle ($\sim 1.1^{\circ}$), leading to the observation of several strongly correlated electronic phenomena. Such a discovery has hence inspired the creation of a novel research field called twistronics, i.e., aiming to explore novel physical properties in vertically stacked 2D structures when tuning the twist angle between the related layers. In this paper, a comprehensive and systematic study related to the electronic properties of twisted multilayer graphene (TMG) is presented based on atomistic calculations. The dependence of both the global and the local electronic quantities on the twist angle and on the stacking configuration are analyzed, fully taking into account atomic reconstruction effects. Consequently, the correlation between structural and electronic properties are clarified, thereby highlighting the shared characteristics and differences between various TMG systems as well as providing a comprehensive and essential overview. On the basis of these investigations, possibilities to tune the electronic properties are discussed, allowing for further developments in the field of twistronics.

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