• 文献标题:   Moire Phonons in Magic-Angle Twisted Bilayer Graphene
  • 文献类型:   Article, Early Access
  • 作  者:   LIU XQ, PENG R, SUN ZR, LIU JP
  • 作者关键词:   twisted bilayer graphene, moire phonon, electronphonon coupling, charge order, deep potential molecular dynamic
  • 出版物名称:   NANO LETTERS
  • ISSN:   1530-6984 EI 1530-6992
  • 通讯作者地址:  
  • 被引频次:   4
  • DOI:   10.1021/acs.nanolett.2c02010 EA SEP 2022
  • 出版年:   2022

▎ 摘  要

Magic-angle twisted bilayer graphene (TBG) has attracted significant interest recently due to the discoveries of diverse correlated and topological states. In this work, we study the phonon properties in magic-angle TBG based on many-body classical potential and interatomic forces generated by a deep neural network trained with data from ab initio calculations. We have discovered a number of soft modes which can exhibit dipolar, quadrupolar, and octupolar vibrational patterns in real space, as well as some time-reversal breaking chiral phonon modes. We have further studied the phonon effects on the electronic structures by freezing certain soft phonon modes. We find that if a soft quadrupolar phonon mode is assumed to be frozen, the system would exhibit a charge order which is perfectly consistent with recent experiments. Moreover, once some low-frequency C-2z-breaking modes get frozen, the Dirac points at the charge neutrality point would be gapped out, which provides an alternative perspective to the origin of correlated insulator state at charge neutrality point.