• 文献标题:   Theory of electronic and spin-orbit proximity effects in graphene on Cu(111)
  • 文献类型:   Article
  • 作  者:   FRANK T, GMITRA M, FABIAN J
  • 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:   18
  • DOI:   10.1103/PhysRevB.93.155142
  • 出版年:   2016

▎ 摘  要

We study orbital and spin-orbit proximity effects in graphene adsorbed to the Cu(111) surface by means of density functional theory (DFT). The proximity effects are caused mainly by the hybridization of graphene p and copper d orbitals. Our electronic structure calculations agree well with the experimentally observed features. We carry out a graphene-Cu(111) distance dependent study to obtain proximity orbital and spin-orbit coupling parameters, by fitting the DFT results to a robust low energy model Hamiltonian. We find a strong distance dependence of the Rashba and intrinsic proximity induced spin-orbit coupling parameters, which are in the meV and hundreds of mu eV range, respectively, for experimentally relevant distances. The Dirac spectrum of graphene also exhibits a proximity orbital gap, of about 20 meV. Furthermore, we find a band inversion within the graphene states accompanied by a reordering of spin and pseudospin states, when graphene is pressed towards copper.