• 文献标题:   Particle-hole symmetry broken solutions in graphene nanoribbons: A multi-orbital, mean-field perspective
  • 文献类型:   Article
  • 作  者:   SCHMIRANDER T, PFANNKUCHE D, PRADA M
  • 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:  
  • 被引频次:   0
  • DOI:   10.1103/PhysRevB.106.045407
  • 出版年:   2022

▎ 摘  要

Mean-field theories have since long predicted edge magnetism in graphene nanoribbons, where the order parameter is given by the local magnetization. However, signatures of edge magnetism appear elusive in the experiments, suggesting another class of solutions. We employ a self-consistent mean-field approximation within a multi-orbital tight-binding model and obtain particle-hole symmetry broken solutions, where the local filling plays the role of the order parameter. Unlike the magnetic edge solutions, these are topologically nontrivial and show zero local magnetization. A small and a large doping regime are studied, and a free energy minimum for finite hole doping is encountered, which may serve as an explanation for the absence of experimental evidence for magnetic edge states in zigzag graphene nanoribbons. The electronic interaction may increase the finite d-orbital occupation, which leads to a change of the effective Coulomb interaction of the dominant pz orbitals. Our findings indicate that the nonmagnetic solution for finite hole doping becomes energetically preferred, compared to the magnetic phases at half filling, once thermal fluctuations or unintentional doping from the substrate are considered. This result persists even in the presence of the d orbitals and the Coulomb interaction therein.