Charge smoothening and band flattening due to Hartree corrections in twisted bilayer graphene

Rademaker, Louk; Abanin, Dmitry A.; Mellado, Paula

Abstract

Doping twisted bilayer graphene away from charge neutrality leads to an enormous buildup of charge inhomogeneities within each moire 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 Gamma 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.

Más información

Título según WOS: Charge smoothening and band flattening due to Hartree corrections in twisted bilayer graphene
Título según SCOPUS: Charge smoothening and band flattening due to Hartree corrections in twisted bilayer graphene
Título de la Revista: PHYSICAL REVIEW B
Volumen: 100
Número: 20
Editorial: AMER PHYSICAL SOC
Fecha de publicación: 2019
Idioma: English
DOI:

10.1103/PhysRevB.100.205114

Notas: ISI, SCOPUS