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.
- Ferromagnetic ordering
- Thermal/magnetic hysteresis
- Magnetocaloric effect
- Transition metals
Ou, Z., Nguyen, H. D., Zhang, L., Caron, L., Torun, E., van Dijk, N., Tegus, O., & Brück, E. (2018). Transition metal substitution in Fe2P-based MnFe0.95P0.50Si0.50 magnetocaloric compounds. Journal of Alloys and Compounds, 730, 392-398. https://doi.org/10.1016/j.jallcom.2017.09.315