• 文献标题:   Cobalt adatoms on graphene: Effects of anisotropies on the correlated electronic structure
  • 文献类型:   Article
  • 作  者:   MOZARA R, VALENTYUK M, KRIVENKO I, SASIOGLU E, KOLORENC J, LICHTENSTEIN AI
  • 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 Hamburg
  • 被引频次:   2
  • DOI:   10.1103/PhysRevB.97.085133
  • 出版年:   2018

▎ 摘  要

Impurities on surfaces experience a geometric symmetry breaking induced not only by the on-site crystal-field splitting and the orbital-dependent hybridization, but also by different screening of the Coulomb interaction in different directions. We present a many-body study of the Anderson impurity model representing a Co adatom on graphene, taking into account all anisotropies of the effective Coulomb interaction, which we obtained by the constrained random-phase approximation. The most pronounced differences are naturally displayed by the many-body self-energy projected onto the single-particle states. For the solution of the Anderson impurity model and analytical continuation of the Matsubara data, we employed new implementations of the continuous-time hybridization expansion quantum Monte Carlo and the stochastic optimization method, and we verified the results in parallel with the exact diagonalization method.