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Site-specific atomic substitution in a giant magnetocaloric Fe2P-type system
Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Materials Science and Engineering, Solid State Physics.ORCID iD: 0000-0003-2790-116x
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.ORCID iD: 0000-0002-0096-4366
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2023 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 107, no 10, article id 104409Article in journal (Refereed) Published
Abstract [en]

Giant magnetocaloric (GMC) materials constitute a requirement for near room temperature magnetic refrigeration. (Fe,Mn)2(P,Si) is a GMC compound with strong magnetoelastic coupling. The main hindrance towards application of this material is a comparably large temperature hysteresis, which can be reduced by metal site substitution with a nonmagnetic element. However, the (Fe,Mn)2(P,Si) compound has two equally populated metal sites, the tetrahedrally coordinated 3f and the pyramidally coordinated 3g sites. The magnetic and magnetocaloric properties of such compounds are highly sensitive to the site specific occupancy of the magnetic atoms. Here we have attempted to study separately the effect of 3f and 3g site substitution with equal amounts of vanadium. Using formation energy calculations, the site preference of vanadium and its influence on the magnetic phase formation are described. A large difference in the isothermal entropy change (as high as 44\%) with substitution in the 3f and 3g sites is observed. The role of the lattice parameter change with temperature and the strength of the magnetoelastic coupling on the magnetic properties are highlighted.

Place, publisher, year, edition, pages
American Physical Society, 2023. Vol. 107, no 10, article id 104409
National Category
Condensed Matter Physics Materials Chemistry
Research subject
Engineering Science with specialization in Solid State Physics
Identifiers
URN: urn:nbn:se:uu:diva-487262DOI: 10.1103/PhysRevB.107.104409ISI: 000974419900006OAI: oai:DiVA.org:uu-487262DiVA, id: diva2:1706602
Funder
Swedish Foundation for Strategic Research, EM-16-0039Swedish Research Council, 2019-00645StandUpeSSENCE - An eScience CollaborationSwedish National Infrastructure for Computing (SNIC)Available from: 2022-10-26 Created: 2022-10-26 Last updated: 2023-05-26Bibliographically approved
In thesis
1. Direct and indirect magnetocaloric properties of first- and second-order phase transition materials
Open this publication in new window or tab >>Direct and indirect magnetocaloric properties of first- and second-order phase transition materials
2022 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

The energy-efficient and environmentally friendly alternative cooling technology based on the magnetocaloric effect (MCE) is discussed in this thesis. The thesis has two major parts, one devoted to material characterization and the other to instrument development. Different magnetic oxides and intermetallic compounds with second-order and first-order magnetic transitions, respectively, were studied with the aim of finding materials suitable for magnetic refrigeration. For the application of the MCE, a high value of the isothermal entropy changes and the relative cooling power (RCP), along with minimal temperature hysteresis are required. The temperature hysteresis is negligible for all studied second-order compounds, while an almost ten times higher value of the isothermal entropy change has been observed for the first-order compounds. The highest value of isothermal entropy change (20 J/kgK at 2 T applied magnetic field) has been observed for the MnNiSi-type compounds exhibiting magneto-structural phase transitions, while the largest value of the RCP (176 J/kg at 2 T applied magnetic field) has been observed for the Fe2P-type compounds exhibiting magneto-elastic phase transitions.

For the characterization of magnetocaloric properties, one important parameter is the adiabatic temperature change, which is often not reported in literature owing to the lack of experimental setups for direct measurements of the magnetocaloric effect. This thesis also includes the development of a setup for the direct measurement of the adiabatic temperature change upon a change in a magnetic field.  

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2022. p. 63
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 2212
Keywords
Magnetocaloric effect, Adiabatic temperature change, Direct measurement of magnetocaloric effect, Griffiths phase, Magneto-elastic transition, Magneto-structural transition, Second-order magnetic phase transition, First-order magnetic phase transition, Isothermal magnetic entropy change
National Category
Natural Sciences
Research subject
Physics
Identifiers
urn:nbn:se:uu:diva-487266 (URN)978-91-513-1644-4 (ISBN)
Public defence
2022-12-14, Häggsalen, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala , 75237 Sweden, Uppsala, 09:00 (English)
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Supervisors
Available from: 2022-11-22 Created: 2022-10-27 Last updated: 2022-11-22

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Ghorai, SagarClulow, RebeccaEricsson, ToreHäggström, LennartShtender, VitaliiDelczeg-Czirjak, Erna K.Eriksson, OlleSahlberg, MartinSvedlindh, Peter

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Ghorai, SagarClulow, RebeccaEricsson, ToreHäggström, LennartShtender, VitaliiDelczeg-Czirjak, Erna K.Eriksson, OlleSahlberg, MartinSvedlindh, Peter
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Solid State PhysicsInorganic ChemistryDepartment of Chemistry - ÅngströmMaterials Theory
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