Dresden 2026 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 74: Graphene: Electronic structure, excitations, etc. – Poster (joint session O/TT)

O 74.2: Poster

Mittwoch, 11. März 2026, 18:00–20:00, P2

Folding the electronic band structure of graphene-Bi and graphene-Pb heterobilayers — •Johanna Schurr, Alexander Korn, Andres Unigarro, Sibylle Gemming, and Nebahat Bulut — Institute of Physics, TU Chemnitz, Germany

Translational and rotational degrees of freedom in 2D material stacks open up a wealth of tunable materials properties, such as electrical conductivity, magnetism, or optical properties, in particular if heavy intercalant atoms are present. In this study, the band structure of the two hexagonal hetero-bilayer systems bismuthene-graphene and plumbene-graphene were investigated, because experiment gives evidence for a large number of structural varieties especially for plumbene.

The aim was to identify and characterise the influence of bismuthene and plumbene layers on the band structure of graphene. For this purpose a code was generated to correlate the k-path of the band structures calculated for supercells and primitive cells within their respective Brillouin zones. Subsequent folding back of the bands into the first Brillouin zone of the supercell, while maintaining the information of the original k-path in the primitive cell, provided an overview of all existing bands and the origin of their Brillouin zone.

Keywords: first-principles; folding electronic structure; intercalation on graphene; heterobilayers