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

Biswas, Anis; Chouhan, Rajiv K.; Dolotko, O.; Thayer, A.; Lapidus, S.; Mudryk, Y.; Pecharsky, V. K.

doi:10.1149/2162-8777/ac611d

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

Journal Article · Mon Apr 11 00:00:00 EDT 2022 · ECS Journal of Solid State Science and Technology

DOI:https://doi.org/10.1149/2162-8777/ac611d· OSTI ID:1864270

^[1]; Chouhan, Rajiv K. ^[1]; Dolotko, O. ^[1]; Thayer, A. ^[2]; Lapidus, S. ^[3]; ^[1]; ^[2]

Ames Lab., Ames, IA (United States)
Ames Lab., Ames, IA (United States); Univ. of Iowa, Iowa City, IA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)

Here, 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 T_C = ~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 T_C, the maximum entropy change, ΔS_Max = -16 J Kg^-1K^-1 induced by a moderate magnetic field change of 20 kOe (ΔS_Max = -20 J Kg^-1K^-1 for 50 kOe magnetic field change) is comparable to other known potentially functional materials demonstrating large cryogenic magnetocaloric effect.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; USDOE Office of Science - Office of Basic Energy Sciences

Grant/Contract Number:: AC02-06CH11357; AC02-07CH11358

OSTI ID:: 1864270

Alternate ID(s):: OSTI ID: 1894870

Report Number(s):: IS-J-10,777; DE-AC02-07CH11358; DE-AC02-06CH11357

Journal Information:: ECS Journal of Solid State Science and Technology, Journal Name: ECS Journal of Solid State Science and Technology Journal Issue: 4 Vol. 11; ISSN 2162-8769

Publisher:: Electrochemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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