• 文献标题:   Realization of the Kane-Mele model in XN4-embedded graphene (X = Pt, Ir, Rh, Os)
  • 文献类型:   Article
  • 作  者:   WANG HN, NIU Q, QIAO ZH
  • 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:   1
  • DOI:   10.1103/PhysRevB.104.235157
  • 出版年:   2021

▎ 摘  要

Monolayer graphene embedded with a transition metal nitride (i.e., XN4) has been experimentally synthesized recently, where a transition metal atom together with four nitrogen atoms as a unit are embedded in graphene to form a stable planar single-atom-thick structure. We provide a systematic study on the structural, electronic, and topological properties of these X N4-embedded graphene structures by utilizing both first-principles calculations and a tight-binding model. We find that X N4-embedded graphene (X = Pt, Ir, Rh, Os) can open topologically nontrivial band gaps that host two-dimensional Z2 topological insulators. We further show that the low-energy bands near the band gaps can be perfectly captured by a modified Kane-Mele model Hamiltonian. Our work not only provides concrete two-dimensional materials that are very rare to realize two-dimensional Z2 topological insulators, but also makes the graphene system to be realistic in hosting Kane-Mele type Z2 topological insulators.