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Microscopic theory of magnetism in the magnetocaloric material Fe2P1-xTx (T = B and Si)
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
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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.
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Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-179569DOI: 10.1103/PhysRevB.86.045126ISI: 000306602200004OAI: oai:DiVA.org:uu-179569DiVA: diva2:545425
Note

Correction in: Physical Review B, 2013, vol. 88, issue 19, Article Number: 199904.

DOI: 10.1103/PhysRevB.88.199904

Available from: 2012-08-20 Created: 2012-08-20 Last updated: 2017-12-07Bibliographically approved

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Eriksson, OlleNordblad, PerJohansson, BörjeVitos, Levente

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