Quantum design of magnetic structures with enhanced magnetocaloric properties

Abstract

Abstract The magnetization processes and magnetocaloric effect (MCE) of molecular magnets are studied using the quantum Heisenberg model with the goal of finding magnetic structures with optimal magnetocaloric properties. To fulfill this goal, we examine the influence of various factors such as quantum fluctuations, the magnitude and distribution of spins, the cluster size and its geometry on the conventional (cooling) and inverse (heating) MCE. We find, surprisingly, that the best cooling and heating effects are observed in the Ising limit on the smallest possible molecular clusters represented by dimers and trimers. The increasing Heisenberg interaction suppresses both the cooling as well as heating effects, but while the heating is reduced very strongly, for relatively small values of the anisotropic Heisenberg constant, the cooling effects are reduced only weakly. Since the heating effect is undesired in low-temperature refrigeration, the Heisenberg limit is also interesting from a practical point of view. Moreover, we find that spin distributions also have a significant influence on the magnetocaloric properties of molecular magnets. Specifically, configurations with large spins on the edges of the finite chain significantly enhance the cooling effect.