Materials database development for electromagnetic responses*

The interplay between electromagnetic response theory and symmetry is crucial to understand the transport properties in quantum materials. It is critical to fully understand these physical properties and find materials that host strong electromagnetic response, which, have an extensive impact on the development of data storage, information processing, and energy conversion, etc. Experimentally, however, such large-scale screening is very impractical, as a quantitative determination of the electromagnetic responses by electrical and optical measurements requires integrating each material separately into a complex multicomponent mesoscopic transport device. Theoretically and computationally, the situation is in principle much more straightforward. Via high throughput numerical simulations, we developed the database for intrinsic spin Hall effect in nonmagnetic compounds, shift current in inversion symmetry Weyl semimetals, anomalous Hall effect and anomalous Nernst effect in magnetic Heusler compounds based on the known materials. Our database is helpful for the full understanding of the electronic properties of materials and selecting the correcting materials for further experimental studies.