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SYTS: Symposium Interaction Effects and Correlations in twodimensional Systems - New Challenges for Theory

SYTS 1: Interaction effects and correlations in twodimensional systems - New challenges for theory

SYTS 1.4: Hauptvortrag

Mittwoch, 3. April 2019, 16:45–17:15, H1

Theory of near K-point optical properties of TMDC multilayers — •Tineke Stroucken, Lars Meckbach, Ulrich Huttner, and Stephan W. Koch — Department of Physics and Materials Sciences Center, Philipps-Universität Marburg, D-35032 Marburg, Germany

With the ability to create them as monolayers, van der Waals bonded layers have emerged as a new material class. The availability of different materials with a similar lattice structure but different band-gaps combined with recent advances in stacking technology allows for the engineering of the overall electronic and optical properties to a wide extent, making them an especially promising platform for fundamental material physics studies of two-dimensional systems as well as potential applications in optoelectronic and valleytronic devices.

From a theoretical point of view, the systematic design and engineering of the electronic and excitonic properties of TMDC systems demands a predictive microscopic theory that includes the fundamental structural properties as well as the strong Coulomb interaction effects among the electronic excitations. To this end, we developed a theoretical framework that combines density-functional theory with a dielectric model to determine the Coulomb interaction potential in a multilayer environment, the gap equations for the renormalized ground state, and the Dirac-Bloch equations for the calculation of the optical excitations. Within this framework, we determine both the Coulombic renormalization of the K- point band gap and the optical response for different multilayer configurations and excitation conditions.