Berlin 2018 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 67: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials VI (joint session O/MM/DS/TT/CPP)

CPP 67.3: Talk

Thursday, March 15, 2018, 11:00–11:15, HL 001

Electron-Magnon Scattering in Elementary Ferromagnets from First Principles: Lifetime Broadening and Kinks — Mathias C. T. D. Müller, •Christoph Friedrich, and Stefan Blügel — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany

We study the electron-magnon scattering in bulk Fe, Co, and Ni within the framework of many-body perturbation theory implemented in the full-potential linearized augmented-plane-wave method. Starting from the GW approximation we obtain a Bethe-Salpeter equation for the two-particle (electron-hole) Green function, where single-particle Stoner excitations and collective spin-wave excitations (magnons) are treated on the same footing. We employ the solution of the Bethe-Salpeter equation to construct a self-energy that describes the scattering of electrons and magnons. The resulting renormalized electronic band structures exhibit strong spin-dependent lifetime effects close to the Fermi energy, which are strongest in Fe. In the case of Co and Ni, the renormalization gives rise to kinks in the electronic band dispersion at low binding energies, which we attribute to electron scattering with spatially extended spin waves. Furthermore, we find a band anomaly at larger binding energies in iron, which results from a coupling of the quasihole with single-particle excitations that form a peak in the Stoner continuum. This band anomaly has, in fact, been observed in recent photoemission experiments at the same energy and momentum.