Structural, Electronic, and Magnetic Properties and Magnetocaloric Effect of NdPd Intermetallic Compound for Cryogenic Cooling Applications

Herein, the ground-state properties of the intermetallic compound NdPd and its magnetic observable curves as well as its magnetocaloric properties have been investigated using a combined Monte Carlo simulation and ab initio calculations. The calculated magnetic moment of Nd atom is 3.11 μB which is in agreement with the experimental one. Furthermore, it was established that the first two exchange couplings for Nd-Nd interactions present positive signs ( \({J}_{1}=1.593\) $J_1=1.593$  meV and \({J}_{2}= 0.358\) $J_2=0.358$ meV), where both correspond to ferromagnetic interactions. In good agreement with recent experimental works, the simulation results revealed that the NdPd compound orders ferromagnetically at \({T}_{c}\) $T_c$ =16 K. It was moreover found that the isothermal magnetic entropy around the Curie temperature and the relative cooling power (RCP) in an applied magnetic field of 5 T are acceptable concurrence with those obtained in the laboratory. Besides, the good magnetocaloric properties of NdPd obtained here are quite convincing to predict that NdPd-based magnetic refrigeration can be considered a promising technology for cryogenic cooling systems within the range T < 20 K.