Journal Article FZJ-2021-04182

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png
Electron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining GW and GT self-energies

 ;  ;

2021
Nature Publ. Group London

npj computational materials 7(1), 178 () [10.1038/s41524-021-00649-8]

This record in other databases:    

Please use a persistent id in citations:   doi:

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.

Classification:

Contributing Institute(s):
  1. Quanten-Theorie der Materialien (IAS-1)
  2. Quanten-Theorie der Materialien (PGI-1)
  3. JARA-FIT (JARA-FIT)
  4. JARA - HPC (JARA-HPC)
Research Program(s):
  1. 5211 - Topological Matter (POF4-521) (POF4-521)

Appears in the scientific report 2021
Database coverage:
Creative Commons Attribution CC BY 4.0 ; DOAJ ; OpenAccess ; Article Processing Charges ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DOAJ Seal ; Essential Science Indicators ; Fees ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection
Click to display QR Code for this record

The record appears in these collections:
Document types > Articles > Journal Article
JARA > JARA > JARA-JARA\-FIT
JARA > JARA > JARA-JARA\-HPC
Institute Collections > IAS > IAS-1
Institute Collections > PGI > PGI-1
Workflow collections > Public records
Workflow collections > Publication Charges
Publications database
Open Access

 Record created 2021-11-09, last modified 2022-09-30