Tight-binding approach to penta-graphene

URN to cite this document:: urn:nbn:de:bvb:355-epub-335415
DOI to cite this document:: 10.5283/epub.33541

Schliemann, John ; Beltrán, J. I.

; Stauber, Tobias

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Date of publication of this fulltext: 04 Apr 2016 13:28

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Abstract

We introduce an effective tight-binding model to discuss penta-graphene and present an analytical solution. This model only involves the pi-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 ...