Correlating Crystallography, Magnetism, and Electronic Structure Across Anhysteretic First-Order Phase Transition in Pr₂In

Abstract

Temperature-dependent powder X-ray diffraction and magnetization measurements of Pr2In conclusively prove that the unusual anhysteretic first-order paramagnetic-ferromagnetic phase transition in the compound is related to concurrent changes in both the magnetic and crystallographic lattices. At the same time, the hexagonal Ni2In-type structure is stable at least between 6 and 298 K, including at TC = ~57 K. From the density functional theory calculations, the electronic structure of the compound is extraordinarily sensitive to minor changes in lattice parameters that occur across the phase transition, revealing the origin of strong magnetoelastic coupling. In the vicinity of TC, the maximum entropy change, △SMax = -16 J/ Kg K induced by a moderate magnetic field change of 20 kOe (△SMax = -20 J/ Kg K for 50 kOe magnetic field change) is comparable to other known potentially functional materials demonstrating large cryogenic magnetocaloric effect.

From Fundamentals to Next-Generation Technology - JES/JSS Focus Issue In Honor of John Goodenough: A Centenarian Milestone

“…7 Continuing in this vein, Ramesh 8 presents aspects of coupled order parameters within multiferroic materials and ties fundamental understanding of this class of materials to real-life applications. Biswas et al 9 discusses connections between crystal structure, magnetic and electronic response in Pr 2 In, a compound exhibiting an unusual first-order magnetic phase change, that gives rise to an appreciable magnetocaloric response. Magnetic phase changes are also discussed by Huang et al 10 who examine the electronic phase diagram of the triangular lattice antiferromagnetic Ca 3 MNb 2 O 9 (M = Co, Ni) compound.…”