Why twisting angles are diverse in graphene Moire patterns?

Abstract

The interlayer energy of the twisting bilayer graphene is investigated by the molecular mechanics method using both the registry-dependent potential and the Lennard-Jones potential. Both potentials show that the interlayer energy is independent of the twisting angle $\theta$, except in the two boundary regions $\theta \approx 0$ or $60^{\circ }$, where the interlayer energy is proportional to the square of the twisting arc length. The calculation results are successfully interpreted by a single atom model. An important information from our findings is that, from the energy point of view, there is no preference for the twisting angle in the experimental bilayer graphene samples, which actually explains the diverse twisting angles in the experiment.

8 pages, 12 figures

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Cited by in corpus (2)

• A Gaussian Treatment for the Friction Issue of Lennard-Jones Potential in Layered Materials: Application to Friction between Graphene, MoS2 and Black Phosphorus
• Origin of frictional scaling law in circular twist layered interfaces: simulations and theory