Transition metal substitution in Fe2P-based MnFe0.95P0.50Si0.50 magnetocaloric compounds
Z. Ou (TU Delft - RST/Fundamental Aspects of Materials and Energy, Inner Mongolia Normal University China)
Huu Dung Nguyen (TU Delft - RST/Fundamental Aspects of Materials and Energy, Hanoi University of Science and Technology)
Lian Zhang (BASF Nederland B.V., TU Delft - RST/Fundamental Aspects of Materials and Energy)
Luana Caron (Max Planck Institute for Chemical Physics of Solids, TU Delft - RST/Fundamental Aspects of Materials and Energy)
E. Torun (Université du Luxembourg)
Niels van Dijk (TU Delft - RST/Fundamental Aspects of Materials and Energy)
O. Tegus (Inner Mongolia Normal University China)
Ekkes Brück (TU Delft - RST/Fundamental Aspects of Materials and Energy)
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Abstract
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.