• 文献标题:   Optimal Hubbard Models for Materials with Nonlocal Coulomb Interactions: Graphene, Silicene, and Benzene
  • 文献类型:   Article
  • 作  者:   SCHULER M, ROSNER M, WEHLING TO, LICHTENSTEIN AI, KATSNELSON MI
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW LETTERS
  • ISSN:   0031-9007 EI 1079-7114
  • 通讯作者地址:   Univ Bremen
  • 被引频次:   107
  • DOI:   10.1103/PhysRevLett.111.036601
  • 出版年:   2013

▎ 摘  要

To understand how nonlocal Coulomb interactions affect the phase diagram of correlated electron materials, we report on a method to approximate a correlated lattice model with nonlocal interactions by an effective Hubbard model with on-site interactions U* only. The effective model is defined by the Peierls-Feynman-Bogoliubov variational principle. We find that the local part of the interaction U is reduced according to U* = U - (V) over bar, where (V) over bar is a weighted average of nonlocal interactions. For graphene, silicene, and benzene we show that the nonlocal Coulomb interaction can decrease the effective local interaction by more than a factor of 2 in a wide doping range.