001020286 001__ 1020286
001020286 005__ 20240226075249.0
001020286 037__ $$aFZJ-2024-00042
001020286 1001_ $$0P:(DE-Juel1)130644$$aFriedrich, Christoph$$b0$$ufzj
001020286 1112_ $$aTowards exascale solutions in Green function methods and advanced DFT$$cPaphos$$d2023-10-03 - 2023-10-08$$wCyprus
001020286 245__ $$aElectron–plasmon and electron–magnon scattering in elementary ferromagnets from first principles: the $GWT$ self-energy
001020286 260__ $$c2023
001020286 3367_ $$033$$2EndNote$$aConference Paper
001020286 3367_ $$2DataCite$$aOther
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001020286 3367_ $$2ORCID$$aLECTURE_SPEECH
001020286 3367_ $$0PUB:(DE-HGF)6$$2PUB:(DE-HGF)$$aConference Presentation$$bconf$$mconf$$s1704275203_15364$$xInvited
001020286 520__ $$aThis work combines two powerful self-energy techniques: the well-known $GW$ method and a self-energy recently developed by us that describes renormalization effects 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. In the present work, 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 an overall 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 performed analysis provides a basis for applying the $GWT$ technique to a wider class of magnetic materials. This work was supported by the European Centre of Excellence MaX “Materials design at the Exascale” (grant no. 824143) funded by the EU. We gratefully acknowledge the computing time granted through JARA-HPC on the supercomputer JURECA at Forschungszentrum Jülich.
001020286 536__ $$0G:(DE-HGF)POF4-5211$$a5211 - Topological Matter (POF4-521)$$cPOF4-521$$fPOF IV$$x0
001020286 65017 $$0V:(DE-MLZ)GC-2004-2016$$2V:(DE-HGF)$$aBasic research$$x0
001020286 65027 $$0V:(DE-MLZ)SciArea-120$$2V:(DE-HGF)$$aCondensed Matter Physics$$x0
001020286 909CO $$ooai:juser.fz-juelich.de:1020286$$pVDB
001020286 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130644$$aForschungszentrum Jülich$$b0$$kFZJ
001020286 9131_ $$0G:(DE-HGF)POF4-521$$1G:(DE-HGF)POF4-520$$2G:(DE-HGF)POF4-500$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-5211$$aDE-HGF$$bKey Technologies$$lNatural, Artificial and Cognitive Information Processing$$vQuantum Materials$$x0
001020286 9141_ $$y2023
001020286 920__ $$lno
001020286 9201_ $$0I:(DE-Juel1)PGI-1-20110106$$kPGI-1$$lQuanten-Theorie der Materialien$$x0
001020286 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$kIAS-1$$lQuanten-Theorie der Materialien$$x1
001020286 980__ $$aconf
001020286 980__ $$aVDB
001020286 980__ $$aI:(DE-Juel1)PGI-1-20110106
001020286 980__ $$aI:(DE-Juel1)IAS-1-20090406
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