High-performance magnetic refrigeration materials: Prediction and realization

Magnetic refrigeration technology based on the magnetocaloric effect provides an optimal replacement for conventional refrigeration technology. However, an efficient approach to developing superior magnetic refrigeration materials to satisfy practical requirements is still lacking. Here, a feasible approach to develop magnetic refrigeration materials with a superior magnetocaloric effect is designed. Based on this screening rule, the 23 rare-earth-based compounds with inverse perovskite structures were revealed in space group Pm3̅m (No. 221). The First principle calculations are used to predict the magnetism, and electronic structure of candidate compounds, and there are 13 rare earth-based compounds in the candidate materials that have a ferromagnetic magnetic ground state. The Er3SnC, Ho3SnC, Gd3SnC, and Gd3AlC compounds were realized, and the magnetism, magnetocaloric effects were investigated. The experimental results demonstrate that the magnetic ground states of the prepared compounds are in agreement with theoretical predictions. The Er3SnC, Ho3SnC and Gd3SnC compounds with ferromagnetic states exhibit superior magnetocaloric effects.