Interacting models for twisted bilayer graphene: A quantum chemistry approach

Abstract

Twisted bilayer graphene (TBG) has garnered significant interest in condensed matter physics over the past few years. Here, the authors present numerical investigations of TBG implementing state-of-the-art quantum chemistry methods. Using a gauge-invariant order parameter, they show a ${C}_{2z}$\ensuremath{\mathcal{T}} phase transition at charge neutrality which persists at noninteger fillings near charge neutrality. The work is the first systematic study of TBG for noninteger fillings near charge neutrality.