paper

Charge Smoothening and Band Flattening due to Hartree corrections in Twisted Bilayer Graphene

arXiv:1907.00940 · doi:10.1103/PhysRevB.100.205114

Abstract

Doping twisted bilayer graphene away from charge neutrality leads to an enormous buildup of charge inhomogeneities within each Moiré unit cell. Here we show, using unbiased real-space self-consistent Hartree calculations on a relaxed lattice, that Coulomb interactions smoothen this charge imbalance by changing the occupation of earlier identified `ring' orbitals in the AB/BA region and `center' orbitals at the AA region. For hole doping, this implies an increase of the energy of the states at the point, leading to a further flattening of the flat bands and a pinning of the Van Hove singularity at the Fermi level. The charge smoothening will affect the subtle competition between different possible correlated phases.

arXiv comment6 pages, 5 figures

References in corpus (57)

Cited by in corpus (59)