SKM 2023 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 32: 2D Materials IV (joint session HL/CPP)
CPP 32.7: Vortrag
Mittwoch, 29. März 2023, 11:15–11:30, POT 81
Charge and exciton quenching at defect states in TMDC-graphene heterostructures — •Daniel Hernangómez-Pérez1, Amir Kleiner1, Andrea Donarini2, and Sivan Refaely-Abramson1 — 1Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, 7610001 Rehovot, Israel — 2Institute for Theoretical Physics, University of Regensburg, 93040 Regensburg, Germany
In recent years, studies of charge transfer and excitonic properties of van der Waals heterostructures have revealed a fertile research arena, spanning Coulomb blockade physics [1], ultrafast interlayer charge separation [2] or graphene-quenched photoluminescence [3]. We theoretically study charge transfer and excitonic properties in XS2-graphene (X = W, Mo) heterobilayers with monoatomic chalcogen vacancies [4-5]. We discuss the impact of the subgap defect-based features in the microscopic dynamics, as well as the interplay between spatial symmetries and the spin degree of freedom through the spin-orbit interaction. Finally, we report the electronic and optical properties computed by many-body perturbation theory and show how defects and graphene alter the absorption properties of the TMDC due to a combination of folding, commensuration and impact of defect in-gap energy bands.
[1] N. Papadopoulos, et al. Phys. Rev. B 101, 165303 (2020). [2] S. Aeschlimann, et al. Science Advances 6 (20)(2020). [3] E. Lorchat, et al., Nat. Nano. 15, 283 (2020). [4] D. Hernangómez-Pérez, A. Donarini, and S. Refaely-Abramson, arXiv:2209.14420. [5] D. Hernangómez-Pérez, A. Kleiner, and S. Refaely-Abramson (in preparation).