• 文献标题:   Crucial role of atomic corrugation on the flat bands and energy gaps of twisted bilayer graphene at the magic angle theta similar to 1.08 degrees
  • 文献类型:   Article
  • 作  者:   LUCIGNANO P, ALFE D, CATAUDELLA V, NINNO D, CANTELE G
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   CNR SPIN
  • 被引频次:   37
  • DOI:   10.1103/PhysRevB.99.195419
  • 出版年:   2019

▎ 摘  要

We combine state-of-the-art large-scale first-principles calculations with a low-energy continuum model to describe the nearly flat bands of twisted bilayer graphene at the first magic angle theta = 1.08 degrees. We show that the energy width of the flat-band manifold, as well as the energy gap separating it from the valence and conduction bands, can be obtained only if the out-of-plane relaxations are fully taken into account. The results agree both qualitatively and quantitatively with recent experimental outcomes.