Microscopic theory of magnetism in the magnetocaloric material Fe2P1-xTx (T = B and Si)
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
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.
Fe2p Single-Crystal, Metamagnetic Transition, Phase-Transitions, Potential Model, Ferromagnetism, Metals, Approximation, Refrigeration, Mossbauer, System
IdentifiersURN: urn:nbn:se:kth:diva-100783DOI: 10.1103/PhysRevB.86.045126ISI: 000306602200004ScopusID: 2-s2.0-84864619213OAI: oai:DiVA.org:kth-100783DiVA: diva2:545100
FunderSwedish Research CouncilEU, European Research Council, 228074-ALPAM 247062-ASDSwedish e‐Science Research Center
QC 20120817. Correction in: Physical Review B, vol. 88, issue. 19, article number. 199904. Doi: 10.1103/PhysRevB.88.199904, WOS:0003272392000042012-08-172012-08-172013-12-17Bibliographically approved