• 文献标题:   Importance of sigma Bonding Electrons for the Accurate Description of Electron Correlation in Graphene
  • 文献类型:   Article
  • 作  者:   ZHENG HH, GAN Y, ABBAMONTE P, WAGNER LK
  • 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 Illinois
  • 被引频次:   3
  • DOI:   10.1103/PhysRevLett.119.166402
  • 出版年:   2017

▎ 摘  要

Electron correlation in graphene is unique because of the interplay between the Dirac cone dispersion of pi electrons and long-range Coulomb interaction. Because of the zero density of states at Fermi level, the random phase approximation predicts no metallic screening at long distance and low energy, so one might expect that graphene should be a poorly screened system. However, empirically graphene is a weakly interacting semimetal, which leads to the question of how electron correlations take place in graphene at different length scales. We address this question by computing the equal time and dynamic structure factor S(q) and S(q, omega) of freestanding graphene using ab initio fixed-node diffusion Monte Carlo simulations and the random phase approximation. We find that the sigma electrons contribute strongly to S(q, omega) for relevant experimental values of omega even at distances up to around 80 angstrom. These findings illustrate how the emergent physics from underlying Coulomb interactions results in the observed weakly correlated semimetal.