Moiré Phonons in Magic-Angle Twisted Bilayer Graphene.

Abstract

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 C2z-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.