• 文献标题:   Interelectron interactions and the RKKY potential between H adatoms in graphene
  • 文献类型:   Article
  • 作  者:   BUIVIDOVICH P, SMITH D, ULYBYSHEV M, VON SMEKAL L
  • 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 Regensburg
  • 被引频次:   5
  • DOI:   10.1103/PhysRevB.96.165411
  • 出版年:   2017

▎ 摘  要

We use first-principles quantum Monte Carlo simulations to study the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between hydrogen adatoms attached to a graphene sheet. We find that the pairwise RKKY interactions at distances of a few lattice spacings are strongly affected by interelectron interactions, in particular, the potential barrier between widely separated adatoms and the dimer configuration becomes wider and thus harder to penetrate. We also point out that antiferrromagnetic and charge density wave orderings have very different effects on the RKKY interaction. Finally, we analyze the stability of several regular adatom superlattices with respect to small displacements of a single adatom, distinguishing the cases of adatoms which populate either both or only one sublattice of the graphene lattice.