On the origin of the giant magnetocaloric effect in HoMn2O5 single crystals: First principles study and Monte Carlo simulations

Large rotating magnetocaloric effect (MCE) has been recently observed in HoMn2O5 single crystals due to the strong magnetocrystalline anisotropy making a significant step towards efficient magnetic refrigeration systems. We tried to explain, theoretically, the reasons behind the magnificent performance in terms of magnetocaloric effect based on DFT calculations and Monte Carlo simulations. X-ray magnetic circular dichroism (XMCD) was performed in order to disentangle the magnetic contribution responsible for the MCE, as well as, the investigation of electronic and magnetic properties. The obtained results would enable the understanding of electronic and magnetic behaviors experimentally observed in HoMn2O5 single crystals and the optimization of their MCE for magnetic refrigeration application. •Magnetic properties and magneto-caloric effect (MCE) in HoMn2O5 single crystals were studied.•Large values of −ΔSM and RCP were observed at low temperature by Monte Carlo simulations.•The origin of MCE in ΔSM in HoMn2O5 was discussed.•First principle study was performed to investigate the magnetic contribution and the anisotropy in HoMn2O5.