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Microscopic theory of magnetism in the magnetocaloric material Fe2P1-xTx (T = B and Si)
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0003-4341-5663
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2012 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 86, no 4, 045126- p.Article in journal (Refereed) Published
Abstract [en]

Landau phenomenological theory in combination with first-principles calculations was used to reveal the origin of the metamagnetic nature and the unusually strong dependence of the ordering temperature with doping of the Fe2P compound. We show that the magnetism of the two sublattices occupied by Fe atoms has an entwined codependency, which is strongly influenced by alloying. We furthermore demonstrate that a constrained disordered local moment approach combined with Monte Carlo simulations can only reproduce the experimental ordering temperatures in these technologically important prototype alloys for magnetocaloric refrigeration.

Place, publisher, year, edition, pages
2012. Vol. 86, no 4, 045126- p.
Keyword [en]
Fe2p Single-Crystal, Metamagnetic Transition, Phase-Transitions, Potential Model, Ferromagnetism, Metals, Approximation, Refrigeration, Mossbauer, System
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-100783DOI: 10.1103/PhysRevB.86.045126ISI: 000306602200004Scopus ID: 2-s2.0-84864619213OAI: oai:DiVA.org:kth-100783DiVA: diva2:545100
Funder
Swedish Research CouncilEU, European Research Council, 228074-ALPAM 247062-ASDSwedish e‐Science Research Center
Note

QC 20120817. Correction in: Physical Review B, vol. 88, issue. 19, article number. 199904. Doi: 10.1103/PhysRevB.88.199904, WOS:000327239200004

Available from: 2012-08-17 Created: 2012-08-17 Last updated: 2017-12-07Bibliographically approved

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Bergqvist, LarsVitos, Levente

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