Accurate Prediction of the Magnetic Ordering Temperature of Ultralow-Temperature Magnetic Refrigerants.

Adiabatic demagnetization refrigeration is known to be the only cryogenic refrigeration technology that can achieve ultralow temperatures (≪1 K) at gravity-free conditions. The key indexes to evaluate the performance of magnetic refrigerants are their magnetic entropy changes (-Δ) and magnetic ordering temperature (). Although, based on the factors affecting the -Δ of magnetic refrigerants, one has been able to judge if a magnetic refrigerant has a large -Δ, how to accurately predict their remains a huge challenge due to the fact that the of magnetic refrigerants is related to not only magnetic exchange but also single-ion anisotropy and magnetic dipole interaction. Here, we, taking GdCOF (), Gd(HCOO)F, Gd(SO)·8HO, GdF, Gd(HCOO) and Gd(OH) as examples, demonstrate that the of magnetic refrigerants with very weak magnetic interactions and small anisotropy can be accurately predicted by integrating mean-field approximation with quantum Monte Carlo simulations, providing an effective method for predicting the of ultralow-temperature magnetic refrigerants. Thus, the present work lays a solid foundation for the rational design and preparation of ultralow-temperature magnetic refrigerants in the future.