ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


Predictions of a large magnetocaloric effect in Co- and Cr-substituted Heusler alloys using first-principles and Monte Carlo approaches

V. V. Sokolovskiy, V. D. Buchelnikov, M. A. Zagrebin, A. Grünebohm, P. Entel.

Physics Procedia, Published by Elsevier B.V., 75, 1381-1388, (2015)

The effect of Co- and Cr-doping on magnetic and magnetocaloric poperties of Ni-Mn-(In, Ga, Sn, and Al) Heusler alloys has been theoretically studied by combining first principles with Monte Carlo approaches. The magnetic and magnetocaloric properties are obtained as a function of temperature and magnetic field using a mixed type of Potts and Blume-Emery-Griffiths model where the model parameters are obtained from ab initio calculations. The Monte Carlo calculations allowed to make predictions of a giant inverse magnetocaloric effect in partially new hypothetical magnetic Heusler alloys across the martensitic transformation.

DOI: 10.1016/j.phpro.2015.12.155
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