Manson, Jamie L., Brambleby, Jamie, Goddard, Paul, Spurgeon, Peter M., Villa, Jacqueline A., Liu, Junjie, Ghannaszadeh, Saman, Foronda, Francesca, Singleton, John, Lancaster, Tom, Clark, Stewart J., Thomas, Iorwerth O, Xiao, Fan, Williams, Francis L., Blundell, Stephen J., Topping, Craig V., Baines, Christopher, Campana, Charles and Noll, Bruce Data for Implications of bond disorder in a S=1 kagome lattice. [Dataset]

	Plain Text (Description of zip file contents and structure) README.txt - Published Version Available under License Creative Commons Attribution 4.0. Download (5Kb)
	Archive (ZIP) (Zip file of experimental data) Kagome Material Data Archive.zip - Published Version Available under License Creative Commons Attribution 4.0. Download (85Mb)

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Abstract

Strong hydrogen bonds such as F···H···F offer new strategies to fabricate molecular architectures exhibiting novel structures and properties. Along these lines and, to potentially realize hydrogen-bond mediated superexchange interactions in a frustrated material, we synthesized [H2F]2[Ni3F6(Fpy)12][SbF6]2 (Fpy = 3-fluoropyridine). It was found that positionally-disordered H2F+ ions link neutral NiF2(Fpy)4 moieties into a kagome lattice with perfect 3-fold rotational symmetry. Detailed magnetic investigations combined with density-functional theory (DFT) revealed weak antiferromagnetic interactions (J ~ 0.4 K) and a large positive-D of 8.3 K with ms = 0 lying below ms = ±1. The observed weak magnetic coupling is attributed to bond-disorder of the H2F+ ions which leads to disrupted Ni-F···H-F-H···F-Ni exchange pathways. Despite this result, we argue that networks such as this may be a way forward in designing tunable materials with varying degrees of frustration.

Item Type:	Dataset
Subjects:	Q Science > QC Physics
Divisions:	Faculty of Science, Engineering and Medicine > Science > Physics
Type of Data:	Experimental data
Library of Congress Subject Headings (LCSH):	Ferromagnetic materials, Magnetic materials, Magnetism
Publisher:	University of Warwick, Department of Physics
Status:	Not Peer Reviewed
Publication Status:	Published
Media of Output (format):	.dat .txt
Access rights to Published version:	Open Access (Creative Commons)
Copyright Holders:	University of Warwick
Description:	Experimental data in a zip file with explanatory information in readme.txt includes:- Heat_Capacity.dat Linear_Susceptibility.dat AC_Susceptibility.dat Differential_Susceptibility Electron_spin_resonance_1.dat Electron_spin_resonance_2.dat Muon_Spin_Rotation.dat Muon_Spin_Rotation2.dat Muon_Spin_Rotation3.dat DFT data files are organised in folders: 3-link model CASTEP output 2-link model CASTEP output - both folders contain subfolders
Date of first compliant deposit:	28 March 2018
Date of first compliant Open Access:	28 March 2018
Related URLs:	Related item in WRAP Other
Contributors:	Contribution Name Contributor ID Depositor Goddard, Paul 55678

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