Datensatz Zitierlink: 
http://hdl.handle.net/20.500.12708/138964
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Titel: 
Nature of the magnetic moment of cobalt in ordered FeCo alloy
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Zitat: 
Gerasimov, A., Nordström, L., Khmelevskyi, S., Mazurenko, V. V., & Khvashnin, Y. O. (2021). Nature of the magnetic moment of cobalt in ordered FeCo alloy. Journal of Physics: Condensed Matter, 33(16), 165801. https://doi.org/10.1088/1361-648x/abdfff
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Verlags-DOI: 
10.1088/1361-648x/abdfff
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Publikationstyp: 
Artikel - Forschungsartikel
de
Sprache: 
Englisch
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Autor_innen: 
Gerasimov, A. 
Nordström, L. 
Khmelevskyi, Sergii 
Mazurenko, V.V. 
Khvashnin, Y.O. 
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Organisations­einheit: 
E057-15 - Fachbereich Center for Computational Materials Science and Engineering 
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Zeitschrift: 
Journal of Physics: Condensed Matter 
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ISSN: 
0953-8984
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Datum (veröffentlicht): 
2021
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Umfang: 
11
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Verlag: 
IOP PUBLISHING LTD
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Peer Reviewed: 
Ja
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Keywords: 
Condensed Matter Physics; General Materials Science
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Abstract: 
Themagnetsaretypicallyclassified intoStonerandHeisenbergtype,dependingonthe itinerantorlocalizednatureofthe constituentmagneticmoments.Inthiswork,weinvestigate theoreticallythebehaviourofthe magneticmomentsofironandcobaltintheirB2-ordered alloy.Theresultsbasedonlocalspindensityapproximationforthedensityfunctionaltheory (DFT)suggestthatthe Comagneticmomentstronglydependsonthedirectionsofthe surroundingmagneticmoments,whichusuallyindicatestheStoner-typemechanismof magnetism.Thisisconsistentwiththedisorderedlocal momentpictureoftheparamagnetic state, wherethemagneticmomentofcobaltgetssubstantiallysuppressed.Wearguethatthisis duetothe lackofstrongon-siteelectroncorrelations,whichwetake intoaccountby employingacombinationofDFTanddynamicalmean-fieldtheory(DMFT).WithinLDA+ DMFT,we finda substantialquasiparticlemassrenormalizationanda nonFermi-liquid behaviourofFe-3d orbitals.Theresultingspectralfunctionsareinverygoodagreementwith measuredspin-resolvedphotoemissionspectra.Ourresultssuggestthatlocal correlationsplay anessentialroleinstabilizingarobustlocalmomentonCointheabsenceofmagneticorderat hightemperatures.
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Forschungs­schwerpunkte: 
Computational Materials Science: 100%
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Wissenschafts­zweig: 
Physik, Astronomie
Chemie
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