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Muon-spin relaxation investigation of magnetic bistability in a crystalline organic radical compound [dataset] Open Access

We present the results of a muon-spin relaxation (μ+SR) investigation of the crystalline organic radical compound 4-(2-benzimidazolyl)-1,2,3,5-dithiadiazolyl (HbimDTDA), in which we demonstrate the hysteretic magnetic switching of the system that takes place at T=274±11K caused by a structural phase transition. Muon-site analysis using electronic structure calculations suggests a range of candidate muon stopping sites. The sites are numerous and similar in energy but, significantly, differ between the two structural phases of the material. Despite the difference in the sites, the muon remains a faithful probe of the transition, revealing a dynamically-fluctuating magnetically disordered state in the low-temperature structural phase. In contrast, in the high temperature phase the relaxation is caused by static nuclear moments, with rapid electronic dynamics being motionally narrowed from the muon spectra.

Descriptions

Resource type
Dataset
Contributors
Creator: Hernandez-Melian, Alberto 1
Creator: Huddart, Benjamin M. 1
Creator: Pratt, Francis L. 2
Creator: Blundell, Stephen J. 3
Creator: Mills, Michelle B. 4
Creator: Young, Harrison K. S. 4
Creator: Preuss, Kathryn E. 4
Creator: Lancaster, Tom 1
1 Durham University, United Kingdom
2 ISIS Neutron and Muon Source, United Kingdom
3 University of Oxford, United Kingdom
4 University of Guelph, Canada
Funder
Engineering and Physical Sciences Research Council
Science and Technology Facilities Council
Research methods
Other description
Experimental data to be published in October 2023:  https://doi.org/10.5286/ISIS.E.RB2010307-1
Keyword
Muon-spin relaxation
Molecule-based magnetism
Hysteresis
Muon site determination
Density functional theory
Subject
Location
Language
Cited in
doi:10.1016/j.jpcs.2023.111493
Identifier
ark:/32150/r1736664521
doi:10.15128/r1736664521
Rights
Creative Commons Attribution 4.0 International (CC BY)

Publisher
Durham University
Date Created

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A. Hernandez Melian
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1 August 2023, 10:08:16
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File size: 93329
Last modified: 2023:07:31 13:08:37+01:00
Filename: jpcs_paper_data.tar.gz
Original checksum: 729b9897719bb3f1ee192e64a57905b4
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