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Project A13: Theory of Electronic Interface States in Weakly Bound Heterostructures

Principle Investigator: Prof. Dr. Michael Rohlfing (Münster, Dept. of Physics)

Summary

a13-logoWe aim at understanding electronic states at the interface between different semiconducting low-dimensional materials (e.g., molecular crystals or transition metal dichalcogenides) or between such materials and a (noble) metal. Employing a combination of density-functional theory, van der Waals interaction, and many-body perturbation theory, all relevant physical mechanisms (chemical bonds, physisorption, electrostatic interaction, dielectric screening, image-potential effects, etc.) are correctly included. Challenges are given by, e.g. the role of material thickness or the spatial decay of interface states in the normal direction. In the lateral dimension, dispersive bands as well as local, non-dispersive states may occur, depending on the competition between interaction within each material and hybridization across the interface.

Project-Related Publications

  1. A. Haags, A. Reichmann, Q.T. Fan, L. Egger, H. Kirschner, T. Naumann, S. Werner, T. Vollgraff, J. Sundermeyer, L. Eschmann, X. Yang, D. Brandstetter, F.C. Bocquet, G. Koller, A. Gottwald, M. Richter, M. G. Ramsey, M. Rohlfing, P. Puschnig, J.M. Gottfried, S. Soubatch, F.S. Tautz
    Kekulene: On-Surface Synthesis, Orbital Structure, and Aromatic Stabilization
    ACS Nano 14, 15766 (2020).
  2. T. Deilmann, P. Krüger, M. Rohlfing
    Ab initio studies of exciton g factors: Monolayer transition metal dichalcogenides in magnetic fields
    Phys. Rev. Lett. 124, 226402 (2020).
  3. L. Eschmann, A. Sabitova, R. Temirov, F.S. Tautz, P. Krüger, M. Rohlfing
    Coveragedependent anisotropy of the NTCDA/Ag(111) interface state dispersion
    Phys. Rev. B 100, 125155 (2019).
  4. I. Niehues, R. Schmidt, M. Drüppel, P. Marauhn, D. Christiansen, M. Selig, G. Berghäuser, D. Wigger, R. Schneider, L. Braasch, R. Koch, A. Castellanos-Gomez, T. Kuhn, A. Knorr, E. Malic, M. Rohlfing, S. Michaelis de Vasconcellos, R. Bratschitsch
    Strain Control of Exciton-Phonon Coupling in Atomically Thin Semiconductors
    Nano Lett. 18, 1751 (2018).

Zuletzt aktualisiert: 27.01.2021 · armbrusn

 
 
 
Philipps-Universität Marburg

Sonderforschungsbereich 1083, Philipps-Universität Marburg, Renthof 5, 35032 Marburg, Germany
Tel. +49 6421 28-24223, Fax +49 6421 28-24218, E-Mail: info@uni-marburg.de

URL dieser Seite: https://www.uni-marburg.de/sfb1083/projects/A13

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