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Finite temperature magnetic properties of CrxCoyNi100-x-y medium entropy alloys from first principles
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.ORCID iD: 0000-0003-2832-3293
2019 (English)In: Scripta Materialia, ISSN 1359-6462, E-ISSN 1872-8456, Vol. 171, p. 78-82Article in journal (Refereed) Published
Abstract [en]

The magnetic structure of polymorphic Cr-Co-Ni medium entropy alloys is investigated as a function of temperature and chemical composition by ab initio calculations. Besides the thermal lattice expansion, the longitudinal spin fluctuations (LSFs) are accounted for in determining the magnetic state at finite temperature. We show that sizable local magnetic moments persist on all alloy components in the paramagnetic state for both face-centered cubic and hexagonal close-packed structures, and each alloy species exhibits particular temperature and concentration dependencies. The crucial role of LSFs for the finite temperature magnetic state and its impact on the temperature dependent elastic parameters are demonstrated.

Place, publisher, year, edition, pages
PERGAMON-ELSEVIER SCIENCE LTD , 2019. Vol. 171, p. 78-82
Keywords [en]
Medium entropy alloy, Magnetism, Spin fluctuations, Chemical fluctuations, Ab initio calculation
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-257535DOI: 10.1016/j.scriptamat.2019.06.019ISI: 000479026100016OAI: oai:DiVA.org:kth-257535DiVA, id: diva2:1352401
Note

QC 20190918

Available from: 2019-09-18 Created: 2019-09-18 Last updated: 2019-09-18Bibliographically approved

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Dong, ZhihuaVitos, Levente

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