Regensburg 2022 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 38: Electron Theory of Magnetism and Correlations

MA 38.5: Vortrag

Freitag, 9. September 2022, 10:30–10:45, H43

Electron-plasmon and electron-magnon scattering in ferromagnets from first principles by combining GW and GT self-energies — Dmitrii Nabok, •Stefan Blügel, and Christoph Friedrich — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany

This work combines two powerful self-energy techniques: The well-known GW method and a self-energy recently developed by us [1] that describes the renormalization caused by the scattering of electrons with magnons and Stoner excitations. This GT self-energy, which is fully k dependent and contains infinitely many spin-flip ladder diagrams, was shown to have a profound impact on the electronic band structure of Fe, Co, and Ni. For example, it predicted a band anomaly in iron that was later confirmed experimentally. In the present work [2], we refine the method by combining GT with the GW self-energy. The resulting GWT spectral functions exhibit strong lifetime effects and emergent dispersion anomalies. They are in a better agreement with experimental spectra than those obtained with GW or GT alone, even showing partial improvements over local-spin-density approximation dynamical mean-field theory. The shape of the iron band anomaly improves, too. We acknowledge the Center of Excellence MaX Materials Science at the Exascale (EU H2020-INFRAEDI-2018) for financial support.
[1] M.C.T.D. Müller, S. Blügel, and C. Friedrich, Phys. Rev. B 100, 045130 (2019)
[2] D. Nabok, S. Blügel, and C. Friedrich, Npj Comput. Mater. 7, 178 (2021)