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. 2022 Jun 7;28(32):e202200855.
doi: 10.1002/chem.202200855. Epub 2022 Apr 27.

Quantum Spin-1/2 Dimers in a Low-Dimensional Tetrabromocuprate Magnet

Gavin Sampson  1 , Nicholas C Bristowe  1   2 , Sam T Carr  1 , Asad Saib  1 , Gavin B G Stenning  3 , Ewan R Clark  1 , Paul J Saines  1
Affiliations

Quantum Spin-1/2 Dimers in a Low-Dimensional Tetrabromocuprate Magnet

Gavin Sampson et al. Chemistry. .

Abstract

This work describes a homometallic spin- 1 / 2 tetrabromocuprate adopting a bilayer structure. Magnetic-susceptibility measurements show a broad maximum centred near 70 K, with fits to this data using a Heisenberg model consistent with strong antiferromagnetic coupling between neighbouring copper atoms in different layers of the bilayer. There are further weak intralayer ferromagnetic interactions between copper cations in neighbouring dimers. First-principles calculations are consistent with this, but suggest there is only significant magnetic coupling within one direction of a layer; this would suggest the presence of a spin ladder within the bilayer with antiferromagnetic rung and weaker ferromagnetic rail couplings.

Keywords: X-ray diffraction; cuprates; density functional calculations; halides; magnetic properties.

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Conflict of interest statement

The authors declare no conflict of interest.

Figures

Figure 1
Figure 1
Crystal structure of (3,4‐lutH)2CuBr4 showing a) a view of the stacking of the bilayers along the b‐axis and b) the two layers in a single bilayer. The Cu tetrahedra are dark blue; bromide, carbon, nitrogen and hydrogen atoms are shown as maroon, black, light blue and pink spheres, respectively. The dominant magnetic coupling through Br⋅⋅⋅Br contacts, J and J N1, indicated by DFT are shown as red and light green dotted lines.
Figure 2
Figure 2
Plot of the magnetic susceptibility of (3,4‐lutH)2CuBr4 vs. temperature at 1 and 10 kOe with ZFC and FC measurements shown by empty and filled symbols, respectively: The 1 and 10 kOe data are both shown across the full range measured. The fit of the magnetic model described in the text is shown in green. The insert shows a Curie–Weiss fit to inverse susceptibility vs. temperature above 120 K.
Figure 3
Figure 3
Isothermal magnetisation of (3,4‐lutH)2CuBr4 at 45 K.
Figure 4
Figure 4
Depiction of AFM3, the lowest‐energy collinear magnetic structure calculated by DFT. It features antiferromagnetic J and J N2 and ferromagnetic J N1 magnetic coupling. The spins are arbitrarily depicted along the c‐axis, as collinear DFT calculations do not consider spin orientation.
See this image and copyright information in PMC

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