Record link: 
http://hdl.handle.net/20.500.12708/138964
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Title: 
Nature of the magnetic moment of cobalt in ordered FeCo alloy
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Citation: 
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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Publisher DOI: 
10.1088/1361-648x/abdfff
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Publication Type: 
Article - Original Research Article
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Language: 
English
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Authors: 
Gerasimov, A. 
Nordström, L. 
Khmelevskyi, Sergii 
Mazurenko, V.V. 
Khvashnin, Y.O. 
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Organisational Unit: 
E057-15 - Fachbereich Center for Computational Materials Science and Engineering 
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Journal: 
Journal of Physics: Condensed Matter 
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ISSN: 
0953-8984
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Date (published): 
2021
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Number of Pages: 
11
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Publisher: 
IOP PUBLISHING LTD
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Peer reviewed: 
Yes
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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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Research Areas: 
Computational Materials Science: 100%
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Science Branch: 
Physik, Astronomie
Chemie
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