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Energetics and Structure of Domain Wall Networks in Minimally Twisted Bilayer Graphene under Strain
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2020-01-09 , DOI: 10.1021/acs.jpcc.9b08306
Irina V. Lebedeva 1 , Andrey M. Popov 2
Affiliation  

The parameters of the triangular domain wall network in bilayer graphene with a simultaneously twisted and biaxially stretched bottom layer are studied using the two-chain Frenkel–Kontorova model. It is demonstrated that if the graphene layers are free to rotate, they prefer to stay co-aligned upon stretching the bottom layer, and the regular triangular network of tensile domain walls is formed upon the commensurate–incommensurate phase transition. If the angle between the layers is fixed, the regular triangular network of shear domain walls is observed at zero elongation of the bottom layer. Upon stretching the bottom layer, however, the domain walls transform into the tensile ones and the size of the commensurate domains decreases. We also show that the parameters of the isosceles triangular domain wall network in twisted bilayer graphene under shear strain can be determined through purely geometrical considerations. Experimental analysis of the orientation of domain walls and period of the triangular network would, on the one hand, contribute to understanding of the interlayer interaction of graphene layers and, on the other hand, serve for detection of relative strains and rotation between the layers. Vice versa, external strains can be used to control the parameters of the triangular domain wall network and, therefore, electronic properties of twisted bilayer graphene.

中文翻译:

应变下最小扭曲双层石墨烯中畴壁网络的能量学和结构

使用双链Frenkel–Kontorova模型研究了双层石墨烯中同时扭曲和双轴拉伸的底层中三角形畴壁网络的参数。结果表明,如果石墨烯层可以自由旋转,则它们在拉伸底层时更倾向于保持共排列,并且在相称相移到不相称相变时会形成拉伸畴壁的规则三角形网络。如果层之间的角度是固定的,则在底层的零伸长率处会观察到剪切畴壁的规则三角形网络。然而,在拉伸底层时,畴壁转变为拉伸壁,并且相应畴的尺寸减小。我们还表明,在剪切应变作用下的扭曲双层石墨烯中的等腰三角形畴壁网络的参数可以通过纯粹的几何考虑来确定。畴壁取向和三角形网络周期的实验分析,一方面有助于理解石墨烯层的层间相互作用,另一方面有助于检测层之间的相对应变和旋转。反之亦然,可以使用外部应变来控制三角形畴壁网络的参数,从而控制扭曲的双层石墨烯的电子性能。有助于理解石墨烯层的层间相互作用,另一方面,有助于检测层之间的相对应变和旋转。反之亦然,可以使用外部应变来控制三角形畴壁网络的参数,从而控制扭曲的双层石墨烯的电子性能。有助于理解石墨烯层的层间相互作用,另一方面,有助于检测层之间的相对应变和旋转。反之亦然,可以使用外部应变来控制三角形畴壁网络的参数,从而控制扭曲的双层石墨烯的电子性能。
更新日期:2020-01-10
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