Transition metal substitution in Fe2P-based MnFe0.95P0.50Si0.50 magnetocaloric compounds

Z. Ou, Huu Dung Nguyen, Lian Zhang, Luana Caron, E. Torun, Niels van Dijk, O. Tegus, Ekkes Brück

Research output: Contribution to journalArticleScientificpeer-review

9 Citations (Scopus)


The crystal structure, magnetic and magnetocaloric properties of (Mn,Fe,T)1.95P0.50Si0.50 (T = Co, Ni and Cu) compounds have been investigated. All the compounds crystallize in the Fe2P-type hexagonal structure. All these transition metal substitutions for either Mn(3g) or Fe(3f) weaken the ferromagnetic ordering, while showing complex effects on the energy barrier for nucleation in the first-order magnetic phase transition and result in complex behaviors in thermal/magnetic hysteresis. A first-principles density functional theory calculations show that Co, Ni and Cu atoms occupy 3f, 3f and 3g sites, respectively.
Original languageEnglish
Pages (from-to)392-398
JournalJournal of Alloys and Compounds
Publication statusPublished - 2018


  • Ferromagnetic ordering
  • Thermal/magnetic hysteresis
  • Magnetocaloric effect
  • Transition metals
  • Substitutions

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