• 文献标题:   Twisted Bilayer Graphene: Moire with a Twist
  • 文献类型:   Article
  • 作  者:   DAI SY, XIANG Y, SROLOVITZ DJ
  • 作者关键词:   twisted bilayer, graphene structure, buckling, dislocation network
  • 出版物名称:   NANO LETTERS
  • ISSN:   1530-6984 EI 1530-6992
  • 通讯作者地址:   Univ Penn
  • 被引频次:   36
  • DOI:   10.1021/acs.nanolett.6b02870
  • 出版年:   2016

▎ 摘  要

A multiscale model is developed to predict the equilibrium structure of twisted bilayer, graphene (tBLG). Two distinct, modified Moire structures are observed. The breathing mode, stable at large twist angle, has small amplitude (opposite budding of the two layers. The bending mode is characterized-by large amplitude (same sign) budding of the layers. The latter gives rise to a, distorted Moire pattern consisting of a twisted dislocation structure., The relaxation of the Moire structure reduces the symmetry and increases: the period of the tBLG. On the basis of these results, we derive a-quantitative analytical model for the angle dependence of the tBLG energy.