• 文献标题:   Modeling the structure and interlayer interactions of twisted bilayer graphene
  • 文献类型:   Article
  • 作  者:   BELENKOV ME, BRZHEZINSKAYA M, GRESHNYAKOV VA, BELENKOV EA
  • 作者关键词:   bilayer graphene, interlayer interaction, superstructure twist angle, computer simulation
  • 出版物名称:   FULLERENES NANOTUBES CARBON NANOSTRUCTURES
  • ISSN:   1536-383X EI 1536-4046
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.1080/1536383X.2021.1981295 EA SEP 2021
  • 出版年:   2022

▎ 摘  要

In this study, we have analyzed twist angles between layers at which the bilayer graphene (BLG) layer structure is periodic. In addition, the dependence of interlayer binding energies on the BLG layer's twist angles was calculated using the atom-atom potential method. It was established that at small twist angles (below 4 degrees) the interlayer binding energy changes monotonically, free of local energy minima and stable structural states. At large twist angles, the local energy minima positions weakly correlate with angles at which periodic Moire superlattices arise.