Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102964
Title: Nature of the magnetic moment of cobalt in ordered FeCo alloy
Authors: Gerasimov, A.
Nordström, L.
Khmelevskyi, S.
Mazurenko, V. V.
Kvashnin, Y. O.
Issue Date: 2020
Publisher: IOP Publishing Ltd
Citation: Nature of the magnetic moment of cobalt in ordered FeCo alloy / A. Gerasimov, L. Nordström, S. Khmelevskyi, et al. — DOI 10.1088/1361-648X/abdfff // Journal of Physics Condensed Matter. — 2020. — Vol. 33. — Iss. 16. — 165801.
Abstract: The magnets are typically classified into Stoner and Heisenberg type, depending on the itinerant or localized nature of the constituent magnetic moments. In this work, we investigate theoretically the behaviour of the magnetic moments of iron and cobalt in their B2-ordered alloy. The results based on local spin density approximation for the density functional theory (DFT) suggest that the Co magnetic moment strongly depends on the directions of the surrounding magnetic moments, which usually indicates the Stoner-type mechanism of magnetism. This is consistent with the disordered local moment picture of the paramagnetic state, where the magnetic moment of cobalt gets substantially suppressed. We argue that this is due to the lack of strong on-site electron correlations, which we take into account by employing a combination of DFT and dynamical mean-field theory (DMFT). Within LDA + DMFT, we find a substantial quasiparticle mass renormalization and a non Fermi-liquid behaviour of Fe-3d orbitals. The resulting spectral functions are in very good agreement with measured spin-resolved photoemission spectra. Our results suggest that local correlations play an essential role in stabilizing a robust local moment on Co in the absence of magnetic order at high temperatures. © 2021 IOP Publishing Ltd Printed in the UK
Keywords: DENSITY FUNCTIONAL THEORY + DYNAMICAL MEAN-FIELD THEORY
LOCAL SPIN DENSITY APPROXIMATION
MAGNETISM
WANNIER FUNCTION METHODS
BINARY ALLOYS
FERMI LIQUIDS
IRON ALLOYS
LOCAL DENSITY APPROXIMATION
MAGNETIC MOMENTS
MEAN FIELD THEORY
DISORDERED LOCAL MOMENTS
DYNAMICAL MEAN-FIELD THEORY
LOCAL SPIN DENSITY APPROXIMATION
MAGNETIC MOMENT OF COBALT
MASS RENORMALIZATIONS
NON-FERMI LIQUID BEHAVIOURS
PARAMAGNETIC STATE
SPIN-RESOLVED PHOTOEMISSION SPECTRA
COBALT ALLOYS
URI: http://hdl.handle.net/10995/102964
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85104184464
PURE ID: 21172418
c9cfde11-0613-4f4e-9967-46ac7781e8fb
ISSN: 9538984
DOI: 10.1088/1361-648X/abdfff
metadata.dc.description.sponsorship: AG acknowledges AI Poteryaev and AS Belozerov for fruitful discussions, EUSpec COST Action and the Competitiveness Enhancement Programme-CEP 3.1.1.2.?-17. The work is supported by the Swedish Research Council (VR) under the projects 2015-05020 and 2019-03569 as well as Swedish Foundation for International Cooperation in Research and Higher Education (STINT), Project No. IB2018-7490. The computer simulations are performed on computational resources provided by NSC allocated by the Swedish National Infrastructure for Computing (SNIC).
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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