论文标题
长距离菱形堆积石墨烯
Long-range rhombohedral-stacked graphene through shear
论文作者
论文摘要
在扭曲的双层石墨烯的平坦带中发现超导性和相关的电子状态引起了很多兴奋。平面带也出现在多层石墨烯薄片中，这些石墨烯薄片在许多连续的层上呈现菱形（ABC）堆叠顺序。尽管Bernal堆叠（AB）石墨烯更稳定，在天然样品中出人意料地观察到了涉及多达50层的远程ABC订购的薄片。在这里，我们提出了一个基于第一原理密度功能理论计算的微观原子模型，该模型证明了剪切应力如何产生远距离的ABC顺序。应力角度相图显示了可以获得ABC堆叠石墨烯的条件，为其合成提供了实验指南。
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.
