Dresden 2026 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 62: Graphene: Electronic structure, excitations, etc. (joint session O/TT)
O 62.5: Vortrag
Mittwoch, 11. März 2026, 16:00–16:15, HSZ/0204
Electronic structure of intercalated epitaxial graphene: A first principles study — •Andres Unigarro1, Florian Günther2, and Sibylle Gemming1 — 1Institute of physics, TU Chemnitz, Chemnitz, Germany — 2UNESP, Rio Claro, Brazil
Two-dimensional materials such as graphene are particularly intriguing due to their exceptional mechanical and electronic properties. A natural next step involves combining different 2D materials to form heterostructures with enhanced functionalities. In epitaxial graphene on silicon carbide (SiC), intercalation provides an effective means to tune the electronic, optical, and transport properties of graphene while preserving its honeycomb lattice. Moreover, intercalation enables the synthesis of otherwise unstable 2D layers. In particular, the intercalation of heavy elements such as Pb [1] and Bi [2] is especially promising, as these can introduce strong spin-orbit coupling (SOC) effects [3] (e.g. Rashba effect, gap opening) in graphene. In this work, we use first-principles calculations to investigate the electronic properties of heterostructures formed by Pb and Bi intercalation.
[1] Schölzel, Franziska, et al. ,Small Structures (2024), 2400338
[2] Tilgner, N., et al. Nat Commun 16, (2025), 6171.
[3] Unigarro A., et al. J. Phys. Chem. C (2025), 129, 11, 5617-5624
Keywords: DFT; SOC; Graphene; DFTB