Berlin 2024 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 13: Kagome Systems

TT 13.10: Talk

Monday, March 18, 2024, 17:30–17:45, H 3010

Unveiling a Kagome Metal Candidate with m-type Van Hove Singularity at Fermi Level: Theoretical Exploration and Electronic Features — •Anja Wenger — University of Würzburg, Germany

We embark on theoretically identifying universality classes of promising kagome metal candidate materials still to be realized in experiment. We intend to reach an electronic correlation strength still ensuring electronic itineracy. Conducting a free energy analysis of our proposed material candidate as a function of volume reveals a minimum at unstrained volume. This holds true even for the structural distortions exhibited by the material, i.e., a twisted and breathing kagome configuration. Remarkably, we generically obtain a mixed-type van Hove singularity in close proximity to the Fermi level. The results were obtained employing both, ab-initio calculations in the framework given by density functional theory (DFT), and crystal field analysis. Our proposed kagome material promises to exhibit exotic electronic features, opening new possibilities for exploring unprecedented quantum phenomena in kagome metals.

Keywords: kagome metals; first principle calculations; van Hove singularity; Jahn-Teller; crystal field