Hyperfine local probe study of alkaline-earth manganites SrMnO3 and BaMnO3
authors Goncalves, JN; Amaral, VS; Correia, JG; Lopes, AML; Araujo, JP; Tavares, PB
nationality International
journal JOURNAL OF PHYSICS-CONDENSED MATTER
author keywords electric field gradient; perturbed angular correlations; density functional theory; manganites; hyperfine
keywords CRYSTAL; FIELDS
abstract We report perturbed angular correlation measurements with Cd-111m/Cd-111 and In-111/Cd-111 probes, at the ISOLDE-CERN facility, in the manganite compounds BaMnO3, with the 6H and 15R polymorphs, and SrMnO3, with the 4H polymorph. The electric field gradient (EFG) is measured, and found approximately constant in a large temperature range for all the compounds. The EFG is also calculated from first principles with density functional theory, and compared with experimental results by considering diluted substitutional Cd impurities. Based on the results, we assign as sites for the probes the Ba (for BaMnO3-6H, 15R) and Sr (for SrMnO3-4H) sites, apart from fractions of undetermined origin in the case of BaMnO3-6H. We predict the hyperfine parameters in the recently synthesized multiferroic manganite Sr0.5Ba0.5MnO3, and its variation with the structure and electric polarization, which is found to be very small.
publisher IOP PUBLISHING LTD
issn 0953-8984
year published 2014
volume 26
issue 21
digital object identifier (doi) 10.1088/0953-8984/26/21/215401
web of science category Physics, Condensed Matter
subject category Physics
unique article identifier WOS:000336245700007
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