Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene

Tutkimustuotos: Lehtiartikkelivertaisarvioitu

Tutkijat

  • Sami Paavilainen
  • Matti Ropo
  • Jouko Nieminen
  • Jaakko Akola
  • Esa Räsänen

Organisaatiot

  • Tampere University of Technology

Kuvaus

We uncover the electronic structure of molecular graphene produced by adsorbed CO molecules on a copper (111) surface by means of first-principles calculations. Our results show that the band structure is fundamentally different from that of conventional graphene, and the unique features of the electronic states arise from coexisting honeycomb and Kagome symmetries. Furthermore, the Dirac cone does not appear at the K-point but at the Δ-point in the reciprocal space and is accompanied by a third, almost flat band. Calculations of the surface structure with Kekulé distortion show a gap opening at the Dirac point in agreement with experiments. Simple tight-binding models are used to support the first-principles results and to explain the physical characteristics behind the electronic band structures.

Yksityiskohdat

AlkuperäiskieliEnglanti
Sivut3519-3523
Sivumäärä5
JulkaisuNano Letters
Vuosikerta16
Numero6
TilaJulkaistu - 8 kesäkuuta 2016
OKM-julkaisutyyppiA1 Julkaistu artikkeli, soviteltu

ID: 6471898