Higher-order continuum models for twisted bilayer graphene

The first-order continuum partial differential equation (PDE) model proposed by Bistritzer and MacDonald [Proc. Natl. Acad. Sci. U. S. A. 108, 12233–12237 (2011)] accurately describes the single-particle electronic properties of twisted bilayer graphene at small twist angles. In this paper, we obtain higher-order corrections to the Bistritzer–MacDonald (BM) model via a systematic multiple-scales expansion. We prove that the solution of the resulting higher-order PDE model accurately approximates the corresponding tight-binding wave function under a natural choice of parameters and given initial conditions that are spectrally localized to the monolayer Dirac points. Numerical simulations of tight-binding and continuum dynamics demonstrate the validity of the higher-order continuum model. Symmetries of the higher-order models are also discussed. This work extends the analysis from Watson et al., J. Math. Phys. 64, 031502 (2023), which rigorously established the validity of the (first-order) BM model.