Interlayer Ions Control Spin Canting in Low-Dimensional Manganese Trimers in 12R-Ba 4 M Mn 3 O 12 ( M = Ce, Pr) Layered Perovskites.

Autor: Regier CE; Department of Chemistry, Colorado State University, Fort Collins, Colorado 80523, United States., O'Donnell S; Materials, Chemical, and Computational Sciences Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, United States., Goyal A; Materials, Chemical, and Computational Sciences Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, United States.; Department of Materials Science and Metallurgical Engineering, IIT Hyderabad, Kandi, Sangareddy, Telangana 502284, India., Dzara MJ; Materials, Chemical, and Computational Sciences Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, United States., Park JE; Sandia National Laboratories, P.O. Box 5800, Albuquerque, New Mexico 87185, United States., Bell RT; Materials, Chemical, and Computational Sciences Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, United States., Kramer MJ; Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States.; Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, Delaware 19716, United States., Paddison JAM; Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States., Shulda S; Materials, Chemical, and Computational Sciences Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, United States., Ginley DS; Materials, Chemical, and Computational Sciences Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, United States., Yahne DR; Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States., Lany S; Materials, Chemical, and Computational Sciences Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, United States., Smaha RW; Materials, Chemical, and Computational Sciences Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, United States., Klein RA; Materials, Chemical, and Computational Sciences Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, United States.; Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States.
Jazyk: angličtina
Zdroj: Inorganic chemistry [Inorg Chem] 2024 Dec 23; Vol. 63 (51), pp. 24176-24186. Date of Electronic Publication: 2024 Dec 07.
DOI: 10.1021/acs.inorgchem.4c03915
Abstrakt: To synthetically target a specific material with select performance, the underlying relationship between structure and function must be understood. For targeting magnetic properties, such understanding is underdeveloped for a relatively new class of layered hexagonal perovskites, the 12R-Ba 4 M Mn 3 O 12 family. Here, we perform a detailed magnetostructural study of the layered hexagonal perovskite materials 12R-Ba 4 M Mn 3 O 12 , where M = diamagnetic Ce 4+ or paramagnetic J eff ≈ 1/2 Pr 4+ . The material with M = Ce 4+ is an antiferromagnet below T N ≈ 7.75 K, while the material with M = Pr 4+ exhibits more complex behavior, with a net moment below 200 K and a sharp peak in the susceptibility at T N ≈ 12.15 K. Guided by the susceptibility data, we conduct variable-temperature powder neutron diffraction measurements to determine the magnetic structure of these two materials. The introduction of a magnetic interlayer cation cants the spins in the Mn 3 O 12 trimers out of plane. We further characterize the crystal and electronic structures in these compounds using powder X-ray diffraction and X-ray absorption spectroscopy measurements coupled with first-principles theoretical calculations. The resulting detailed picture of the magnetic, crystal, and electronic structure will be useful for understanding the magnetism in similar 12R hexagonal perovskites and related materials.
Databáze: MEDLINE
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