Topological materials can exhibit unusual electronic properties with analogs in high-energy physics. Among them, Weyl semimetals are promising candidates for future device applications due to their striking transport features. In candidate materials such as TaAs, NbAs, TaP and NbP, extremely high carrier mobilities and giant magnetoresistance have been reported. Our project puts a focus on the parameter-free prediction of optical and transport coefficients in these structures by developing new theoretical approaches.
In collaboration with Prof. Dr. Claudia Felser and her team at the Max Planck Institute for Chemical Physics of Solids, we combine theoretical, computational and experimental efforts on Weyl semimetals to uncover the unique electronic, optoelectronic and transport properties of these materials. It is our goal to pioneer calculations of linear and higher-order optical responses in these systems, as well as to guide the search for functional materials for near-term quantum hardware.
We build our efforts on a parameter-free framework that captures temperature-dependencies and ultrafast dynamics induced by external fields. By using numerical tools that include electron-photon, electron-electron, electron-phonon dynamics, as well as far-from-equilibrium transport, we can accurately predict material properties even at elevated carrier energies.