Wednesday, November 27, 2024
15:45 - 16:45
"First-principles transport including magnetic and spin-orbit effects"
Topology is the next frontier in materials science, opening possibilities for ultra low power devices, exquisite sensing capabilities, and synergies with quantum computing through the protection of state coherence.
We will showcase recent advances in the theory and applications of first-principles transport calculations, to include magnetism and spin-orbit interactions, and what will be needed to tackle the most complex topological materials, which contain both effects. Using spinor wave functions and SOC naturally incorporates spin-flip processes in electron-phonon scattering. Comparisons to experiments on “simple” 3d ferromagnetic metals require the inclusion of electron-magnon scattering, both in resistivity and in magnon drag. As a next step into topology, we have calculated the first-principles conductivity of Weyl semi-metals, in particular TaAs for which our calculations are in very good agreement with available experiments.
Finally, as a first stab at electron-magnon interactions, we have calculated the transport coefficients of 2D CrSBr in the AFM and paramagnetic states, which explains recent measurements of the Seebeck coefficient in thin flakes of the magnetic material, quantifying the spin entropy contribution to the total thermopower.
– X Ma et al. New Journal of Physics 25, 043022 (2023)
– G Allemand and MJ Verstraete, unpublished (2024)
– A Canetta, et al. Nano Letters 24, 6513-6520 (2024)
Condensed Matter Theory group, QMat
C4.174
Talk
condensed matter theory, quantum matter
Matthieu Verstraete (Universiteit Utrecht)