Publications associated with Quantum Materials

Implications of bond disorder in a S=1 kagome lattice.

Scientific reports 8 (2018) 4745-4745

JL Manson, J Brambleby, PA Goddard, PM Spurgeon, JA Villa, J Liu, S Ghannadzadeh, F Foronda, J Singleton, T Lancaster, SJ Clark, IO Thomas, F Xiao, RC Williams, FL Pratt, SJ Blundell, CV Topping, C Baines, C Campana, B Noll

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.

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