Journal Article

FZJ-2016-04610

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Acoustic magnons in the long-wavelength limit: Investigating the Goldstone violation in many-body perturbation theory

Müller, M. C. T. D. (Corresponding author)FZJ* ; Friedrich, C.FZJ* ; Blügel, S.FZJ*

2016
Inst. Woodbury, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/12252  doi:10.1103/PhysRevB.94.064433

Abstract: Collective spin excitations in magnetic materials arise from the correlated motion of electron-hole pairs with opposite spins. The pair propagation is described by the transverse magnetic susceptibility, which we calculate within many-body perturbation theory from first principles employing the full-potential linearized augmented-plane-wave formalism. Ferromagnetic materials exhibit a spontaneously broken global rotation symmetry in spin space leading to the appearance of acoustic magnons (zero gap) in the long-wavelength limit. However, due to approximations used in the numerical scheme, the acoustic magnon dispersion exhibits a small but finite gap at Γ. We analyze this violation of the Goldstone mode and present an approach that implements the magnetic susceptibility using a renormalized Green function instead of the Kohn-Sham one. This much more expensive approach shows substantial improvement of the Goldstone-mode condition. In addition, we discuss a possible correction scheme, which involves an adjustment of the Kohn-Sham exchange splitting, which is motivated by the spin-wave solution of the one-band Hubbard model. The new exchange splittings turn out to be closer to experiment. We present corrected magnon spectra for the elementary ferromagnets Fe, Co, and Ni.

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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. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
2. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)

Appears in the scientific report 2016

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Database coverage:
; ; ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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