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Long-Range Rhombohedral-Stacked Graphene through Shear.
Nano Letters ( IF 9.6 ) Pub Date : 2020-06-11 , DOI: 10.1021/acs.nanolett.0c01146
Jean Paul Nery 1, 2 , Matteo Calandra 3, 4 , Francesco Mauri 1, 2
Affiliation  

The discovery of superconductivity and correlated electronic states in the flat bands of twisted bilayer graphene has raised a lot of excitement. Flat bands also occur in multilayer graphene flakes that present rhombohedral (ABC) stacking order on many consecutive layers. Although Bernal-stacked (AB) graphene is more stable, long-range ABC-ordered flakes involving up to 50 layers have been surprisingly observed in natural samples. Here, we present a microscopic atomistic model, based on first-principles density functional theory calculations, that demonstrates how shear stress can produce long-range ABC order. A stress-angle phase diagram shows under which conditions ABC-stacked graphene can be obtained, providing an experimental guide for its synthesis.

中文翻译:


通过剪切获得长程菱面体堆叠石墨烯。



扭曲双层石墨烯平带中超导性和相关电子态的发现引起了人们的极大兴奋。平带也出现在多层石墨烯薄片中,在许多连续层上呈现菱形(ABC)堆叠顺序。尽管伯纳尔堆叠 (AB) 石墨烯更稳定,但令人惊讶的是,在自然样品中观察到了多达 50 层的长程 ABC 有序薄片。在这里,我们提出了一个基于第一原理密度泛函理论计算的微观原子模型,该模型演示了剪切应力如何产生长程 ABC 顺序。应力角相图显示了在什么条件下可以获得ABC堆叠石墨烯,为其合成提供实验指导。
更新日期:2020-07-08
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