Report on ab-initio modelling for spin-based THz emitters

We report on ab-initio calculations of the decisive materials’ quantities (e.g. spin-Hall and Rashba-Edelstein coefficients), and the study of symmetry-breaking effect at interfaces (e.g. Fe/Bi) and in selected AFMs (e.g. Mn2Au, CuMnAs without inversion symmetry) that lead to spin-to-charge conversion. Further we report modelling of superdiffusive spin currents for spin-based THz emitters.