Electron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining GW and GT self-energies

Abstract This 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 c...

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Autores principales:	Dmitrii Nabok, Stefan Blügel, Christoph Friedrich
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/c37e0969d1f8431896817afcb412a9dc
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spelling	oai:doaj.org-article:c37e0969d1f8431896817afcb412a9dc2021-11-14T12:15:32ZElectron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining GW and GT self-energies10.1038/s41524-021-00649-82057-3960https://doaj.org/article/c37e0969d1f8431896817afcb412a9dc2021-11-01T00:00:00Zhttps://doi.org/10.1038/s41524-021-00649-8https://doaj.org/toc/2057-3960Abstract This 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.Dmitrii NabokStefan BlügelChristoph FriedrichNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 7, Iss 1, Pp 1-14 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765 Dmitrii Nabok Stefan Blügel Christoph Friedrich Electron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining GW and GT self-energies
description	Abstract This 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.
format	article
author	Dmitrii Nabok Stefan Blügel Christoph Friedrich
author_facet	Dmitrii Nabok Stefan Blügel Christoph Friedrich
author_sort	Dmitrii Nabok
title	Electron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining GW and GT self-energies
title_short	Electron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining GW and GT self-energies
title_full	Electron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining GW and GT self-energies
title_fullStr	Electron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining GW and GT self-energies
title_full_unstemmed	Electron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining GW and GT self-energies
title_sort	electron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining gw and gt self-energies
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/c37e0969d1f8431896817afcb412a9dc
work_keys_str_mv	AT dmitriinabok electronplasmonandelectronmagnonscatteringinferromagnetsfromfirstprinciplesbycombininggwandgtselfenergies AT stefanblugel electronplasmonandelectronmagnonscatteringinferromagnetsfromfirstprinciplesbycombininggwandgtselfenergies AT christophfriedrich electronplasmonandelectronmagnonscatteringinferromagnetsfromfirstprinciplesbycombininggwandgtselfenergies
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Electron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining GW and GT self-energies

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