Overview
This project aims at the fundamental understanding of the relevant intrinsic mechanisms which couple lattice and magnetic degrees of freedom in multicomponent magnetocaloric materials in the framework of first-principles electronic structure theory. Based on this, we quantify how the degrees of freedom associated with specific sites and elements contribute to the first-order nature of the magnetic phase transition and its thermal hysteresis. The strategies for customizing the free energy landscape by chemical modification or appropriately designed external stimuli (static or dynamic) are suggested. We investigate the impact of nanoscale microstructures and precipitates on the relevant properties.
