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Understanding the martensitic phase transition of Ni-2(Mn1-xFex)Ga magnetic shape-memory alloys from theoretical calculations
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2015 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 91, no 17, 174112Article in journal (Refereed) Published
Abstract [en]

By using first principles in combination with atomistic spin dynamics calculational methods, we determine the temperature-dependent free energies of the L2(1)-and L1(0)-Ni-2(Mn1-xFex) Ga (0 <= x <= 1), including phonon vibrational and magnetic energies. The x-dependent martensitic phase transformation (MPT) temperature (T-M) and the Curie temperature (T-C) are well represented. It is found that, the abnormal nonmonotonic behavior of T-M similar to x mainly originates from the phonon vibrational free energy. The magnetic energy, which does not change the trend of T-M against x but decreases the driving force of the MPT, is indispensable as well to get reasonable T-M values. This insight provides a good understanding of the physical mechanisms driving the MPT of Ni-2(Mn1-xFex)Ga, and promotes the improvement of their magnetic shape memory properties.

Place, publisher, year, edition, pages
2015. Vol. 91, no 17, 174112
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Physical Sciences
URN: urn:nbn:se:uu:diva-256226DOI: 10.1103/PhysRevB.91.174112ISI: 000355088000002OAI: oai:DiVA.org:uu-256226DiVA: diva2:827199
Available from: 2015-06-26 Created: 2015-06-22 Last updated: 2015-06-26Bibliographically approved

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Vitos, Levente
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Materials Theory
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