We build symmetry-adapted maximally localized Wannier states and construct the low-energy tight-binding model for the four narrow bands of twisted bilayer graphene. We do so when the twist angle is commensurate near the “magic” value and the narrow bands are separated from the rest of the bands by energy gaps. On each layer and sublattice, every Wannier state has three peaks near the triangular moiré lattice sites. However, each Wannier state is localized and centered around a site of the honeycomb lattice that is dual to the triangular moiré lattice. The space group and the time-reversal symmetries are realized locally. The corresponding tight-binding model provides a starting point for studying the correlated many-body phases.
We identify states favored by Coulomb interactions projected onto the Wannier basis of the four narrow bands of the “magic angle” twisted bilayer graphene. At the filling of 2 electrons/holes per moiré unit cell, such interactions favor an insulating ferromagnet. The kinetic terms select the ground state in which the two valleys with opposite spins are equally mixed, with a vanishing magnetic moment per particle. We also find extended excited states, the gap to which decreases in the magnetic field. An insulating stripe ferromagnetic phase is favored at 1 electron/hole per unit cell.
We use the density matrix renormalization group (DMRG) to study the correlated electron states favored by the Coulomb interaction projected onto the narrow bands of twisted bilayer graphene within a spinless one-valley model. The Hilbert space of the narrow bands is constructed from a pair of hybrid Wannier states with opposite Chern numbers, maximally localized in one direction and Bloch extended in another direction. Depending on the parameters in the Bistritzer-Macdonald model, the DMRG in this basis determines the ground state at one particle per unit cell to be either the quantum anomalous Hall (QAH) state or a state with zero Hall conductivity which is nearly a product state. Based on this form, we then apply the variational method to study their competition, thus identifying three states: the QAH, a gapless -symmetric nematic, and a gapped -symmetric stripe. In the chiral limit, the energies of the two -symmetric states are found to be significantly above the energy of the QAH. However, all three states are nearly degenerate at the realistic parameters of the Bistritzer-Macdonald model. The single-particle spectrum of the nematic contains either a quadratic node or two close Dirac nodes near . Motivated by the Landau level degeneracy found in this state, we propose it to be the state observed at the charge neutrality point once spin and valley degeneracies are restored. The optimal period for the stripe state is found to be two unit cells. In addition, using the fact that the topological charge of the nodes in the -nematic phase is no longer described simply by their winding numbers once the translation symmetry is broken, but rather by certain elements of a non-Abelian group that was recently pointed out, we identify the mechanism of the gap opening within the stripe state. Although the nodes at the Fermi energy are locally stable, they can be annihilated after braiding with other nodes connecting them to adjacent (folded) bands. Therefore, if the translation symmetry is broken, the gap at one particle per unit cell can open even if the system preserves the and valley symmetries, and the gap to remote bands remains open.
We develop a two stage renormalization group which connects the continuum Hamiltonian for twisted bilayer graphene at length scales shorter than the moire superlattice period to the Hamiltonian for the active narrow bands only which is valid at distances much longer than the moire period. In the first stage, the Coulomb interaction renormalizes the Fermi velocity and the interlayer tunnelings in such a way as to suppress the ratio of the same sublattice to opposite sublatice tunneling, hence approaching the so-called chiral limit. In the second stage, the interlayer tunneling is treated nonperturbatively. Via a progressive numerical elimination of remote bands the relative strength of the one-particle-like dispersion and the interactions within the active narrow band Hamiltonian is determined, thus quantifying the residual correlations and justifying the strong coupling approach in the final step. We also calculate exactly the exciton energy spectrum from the Coloumb interactions projected onto the renormalized narrow bands. The resulting softening of the collective modes marks the propinquity of the enlarged (“hidden”) symmetry in the magic angle twisted bilayer graphene.
Twisted bilayer graphene (TBG) provides a unique framework to elucidate the interplay between strong correlations and topological phenomena in two-dimensional systems. The existence of multiple electronic degrees of freedom—charge, spin, and valley—gives rise to a plethora of possible ordered states and instabilities. Identifying which of them are realized in the regime of strong correlations is fundamental to shed light on the nature of the superconducting and correlated insulating states observed in the TBG experiments. Here, we use unbiased, sign-problem-free quantum Monte Carlo simulations to solve an effective interacting lattice model for TBG at charge neutrality. Besides the usual cluster Hubbard-like repulsion, this model also contains an assisted-hopping interaction that emerges due to the nontrivial topological properties of TBG. Such a nonlocal interaction fundamentally alters the phase diagram at charge neutrality, gapping the Dirac cones even for infinitesimally small interactions. As the interaction strength increases, a sequence of different correlated insulating phases emerge, including a quantum valley Hall state with topological edge states, an intervalley-coherent insulator, and a valence bond solid. The charge-neutrality correlated insulating phases discovered here provide the sought-after reference states needed for a comprehensive understanding of the insulating states at integer fillings and the proximate superconducting states of TBG.