Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/111344
Title: Electronic Correlation Effects and Local Magnetic Moments in L10phase of FeNi
Authors: Belozerov, A. S.
Katanin, A. A.
Anisimov, V. I.
Issue Date: 2020
Publisher: Institute of Physics Publishing
IOP Publishing
Citation: Belozerov A. S. Electronic Correlation Effects and Local Magnetic Moments in L10phase of FeNi / A. S. Belozerov, A. A. Katanin, V. I. Anisimov. — DOI 10.21538/0134-4889-2020-26-1-274-292 // Journal of Physics Condensed Matter. — 2020. — Vol. 32. — Iss. 38. — 385601.
Abstract: We study the electronic and magnetic properties of L10 phase of FeNi, a perspective rare-earth-free permanent magnet, by using a combination of density functional and dynamical mean-field theory. Although L10 FeNi has a slightly tetragonally distorted fcc lattice, we find that magnetic properties of its constituent Fe atoms resemble those in pure bcc Fe. In particular, our results indicate the presence of well-localized magnetic moments on Fe sites, which are formed due to Hund's exchange. At the same time, magnetism of Ni sites is much more itinerant. Similarly to pure bcc Fe, the self-energy of Fe 3d states is found to show the non-Fermi-liquid behavior. This can be explained by peculiarities of density of Fe 3d states, which has pronounced peaks near the Fermi level. Our study of local spin correlation function and momentum dependence of particle-hole bubble suggests that the magnetic exchange in this substance is expected to be of RKKY-type, with iron states providing local-moment contribution, and the states corresponding to nickel sites (including virtual hopping to iron sites) providing itinerant contribution. © 2020 IOP Publishing Ltd.
Keywords: DENSITY FUNCTIONAL THEORY
DYNAMICAL MEAN-FIELD THEORY
ELECTRONIC STRUCTURE
PERMANENT MAGNETS
BINARY ALLOYS
DENSITY FUNCTIONAL THEORY
FERMI LIQUIDS
IRON
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
MEAN FIELD THEORY
PERMANENT MAGNETS
RARE EARTHS
DENSITY FUNCTIONALS
DYNAMICAL MEAN-FIELD THEORY
ELECTRONIC AND MAGNETIC PROPERTIES
ELECTRONIC CORRELATION EFFECTS
LOCAL MAGNETIC MOMENTS
LOCALIZED MAGNETIC MOMENTS
NON-FERMI-LIQUID BEHAVIOR
RARE EARTH FREE PERMANENT MAGNETS
IRON ALLOYS
URI: http://hdl.handle.net/10995/111344
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85088029089
PURE ID: 13386093
ISSN: 0953-8984
DOI: 10.21538/0134-4889-2020-26-1-274-292
metadata.dc.description.sponsorship: The DMFT calculations were supported by the Russian Science Foundation (project 19-72-30043). The DFT calculations were supported by the Ministry of Science and Higher Education of the Russian Federation (Theme ‘Electron’ No. AAAA-A18-118020190098-5).
RSCF project card: 19-72-30043
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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