Tight-binding approach to penta-graphene.

نویسندگان

  • T Stauber
  • J I Beltrán
  • J Schliemann
چکیده

We introduce an effective tight-binding model to discuss penta-graphene and present an analytical solution. This model only involves the π-orbitals of the sp(2)-hybridized carbon atoms and reproduces the two highest valence bands. By introducing energy-dependent hopping elements, originating from the elimination of the sp(3)-hybridized carbon atoms, also the two lowest conduction bands can be well approximated - but only after the inclusion of a Hubbard onsite interaction as well as of assisted hopping terms. The eigenfunctions can be approximated analytically for the effective model without energy-dependent hopping elements and the optical absorption is discussed. We find large isotropic absorption ranging from 7.5% up to 24% for transitions at the Γ-point.

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عنوان ژورنال:
  • Scientific reports

دوره 6  شماره 

صفحات  -

تاریخ انتشار 2016