• 文献标题:   Charge smoothening and band flattening due to Hartree corrections in twisted bilayer graphene
  • 文献类型:   Article
  • 作  者:   RADEMAKER L, ABANIN DA, MELLADO P
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Univ Geneva
  • 被引频次:   10
  • DOI:   10.1103/PhysRevB.100.205114
  • 出版年:   2019

▎ 摘  要

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.