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F. Libisch:
"Simulating realistic layered nanostructures";
Talk: Gastvortrag am Institut für Physik, RWTH Aachen, Germany, EU (invited); 2018-02-26 - 2018-03-01.

Two-dimensional materials like graphene or transition metal dichalcogenides have created much interest due to their unique properties. Simulating experiments on realistic nanostructures requires accurate treatments of the individual layers, including edge effects and defects, interactions between layers and the substrate, as well as many-body effects due to electron-electron and electron-phonon coupling. I review our latest approaches to include these effects in our tight binding framework, including quantitative defect modeling based on density functional theory, excitonic wavefunctions and the introduction of bosonic degrees of freedom that may exchange energy with the electronic system.