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Short-range order formation in Fe-Co alloys: NMR study and first-principles calculations
RAS, Ural Div, Inst Met Phys, Ekaterinburg 620219, Russia..
KTH. Institute of Metal Physics, Ural Division RAS, Ekaterinburg, 620219, Russian Federation.ORCID iD: 0000-0001-8629-5193
RAS, Ural Div, Inst Met Phys, Ekaterinburg 620219, Russia..
RAS, Ural Div, Inst Met Phys, Ekaterinburg 620219, Russia..
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2019 (English)In: Journal of Alloys and Compounds, ISSN 0925-8388, E-ISSN 1873-4669, Vol. 782, p. 1008-1014Article in journal (Refereed) Published
Abstract [en]

The short/long-range order formation in Fe1-x-Co-x (x < 0.3) alloys has been studied by the nuclear magnetic resonance (NMR) technique, as well as ab initio based atomistic simulation. The NMR measurements show up the formation of a certain short-range order (SRO) in dilute limit above the Curie temperature T-C and of the D0(3)-type SRO (with the dominance of 3rd Co-Co nearest neighbors) in the concentration range 0.2 < x <0.3 after quenching and subsequent annealing in the ferromagnetic state. The results of Monte Carlo simulations of binary Fe-Co alloys with ab initio interatomic interactions predict SRO in agreement with the experiment for small concentrations of Co (C-Co < 0.1), while the B2-type ordering is preferable in binary alloy in the ferromagnetic state. We demonstrate that the presence of point defects (vacancies, interstitial) can change essentially the ordering in alloys with the Co content 20-30% and result in the D0(3)-type SRO formation in a reasonable agreement with the experiment.

Place, publisher, year, edition, pages
Elsevier, 2019. Vol. 782, p. 1008-1014
Keywords [en]
Fe-Co alloys, Short-range order, Nuclear magnetic resonance, ab initio simulations
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-245885DOI: 10.1016/j.jallcom.2018.12.192ISI: 000458608600114Scopus ID: 2-s2.0-85059069277OAI: oai:DiVA.org:kth-245885DiVA, id: diva2:1295181
Note

QC 20190311

Available from: 2019-03-11 Created: 2019-03-11 Last updated: 2019-03-11Bibliographically approved

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