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Thermal spin fluctuations in CoCrFeMnNi high entropy alloy
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0001-9317-6205
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0001-7724-8299
Chongqing Univ, Coll Mat Sci & Engn, Chongqing 400030, Peoples R China..
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2018 (English)In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 8, article id 12211Article in journal (Refereed) Published
Abstract [en]

High entropy alloys based on 3d transition metals display rich and promising magnetic characteristics for various high-technology applications. Understanding their behavior at finite temperature is, however, limited by the incomplete experimental data for single-phase alloys. Here we use first-principles alloy theory to investigate the magnetic structure of polymorphic CoCrFeMnNi in the paramagnetic state by accounting for the longitudinal spin fluctuations (LSFs) as a function of temperature. In both face-centered cubic (fcc) and hexagonal close-packed (hcp) structures, the LSFs induce sizable magnetic moments for Co, Cr and Ni. The impact of LSFs is demonstrated on the phase stability, stacking fault energy and the fcc-hcp interfacial energy. The hcp phase is energetically preferable to the fcc one at cryogenic temperatures, which results in negative stacking fault energy at these conditions. With increasing temperature, the stacking fault energy increases, suppressing the formation of stacking faults and nano-twins. Our predictions are consistent with recent experimental findings.

Place, publisher, year, edition, pages
NATURE PUBLISHING GROUP , 2018. Vol. 8, article id 12211
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Condensed Matter Physics
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URN: urn:nbn:se:kth:diva-234176DOI: 10.1038/s41598-018-30732-yISI: 000441625500034PubMedID: 30111892Scopus ID: 2-s2.0-85051647158OAI: oai:DiVA.org:kth-234176DiVA, id: diva2:1254412
Note

QC 20181009

Available from: 2018-10-09 Created: 2018-10-09 Last updated: 2020-01-30Bibliographically approved

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Dong, ZhihuaSchönecker, StephanLi, WeiVitos, Levente

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