Carbides-anti-perovskites Mn-3(Sn, Zn)C: Potential candidates for an 
application in magnetic refrigeration

Benhouria, Y.; Kibbou, M.; Khossossi, N.; Foshi, J.; Essaoudi, I; Oubelkacern, A.; Ainane, Abdelmajid; Ahuja, R.

doi:10.1016/j.physe.2020.114317

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Carbides-anti-perovskites Mn-₃(Sn, Zn)C: Potential candidates for an application in magnetic refrigeration

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Ainane, Abdelmajid
Max Planck Institute for the Physics of Complex Systems, Max Planck Society;

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Citation

Benhouria, Y., Kibbou, M., Khossossi, N., Foshi, J., Essaoudi, I., Oubelkacern, A., et al. (2020). Carbides-anti-perovskites Mn-₃(Sn, Zn)C: Potential candidates for an application in magnetic refrigeration. Physica E, 124: 114317. doi:10.1016/j.physe.2020.114317.

Cite as: https://hdl.handle.net/21.11116/0000-0007-D27C-1

Abstract

In the present study, the combination of the First-principles density functional theory (DFT) calculations and Monte Carlo (MC) methods are investigated on the structural, magneto-electronic and magneto-caloric properties of the anti-perovskite carbides Mn3XC with X = Sn, Zn. Firstly, the electronic band structure and total/partial density of state of both Mn3SnC and Mn3ZnC are computed and compared to other theoretical and experimental works. Our results reveal that both Mn3SnC and Mn3ZnC structures exhibit a metallic behavior and the valence (VB) and conduction (CB) bands overlap considerably. Additionally, the magnetic and magneto-caloric properties including heat capacity (C), the entropy change (Delta S), adiabatic temperature (Delta T) and the refrigerant capacity (RC) were studied under the magnetic field ranging between 0 and 5 T for both anti-perovskites. Our findings suggest that both anti-perovskite carbide (Mn3SnC and Mn3ZnC) can act as an effective substrate for magnetic refrigeration.