Long range 3D magnetic structures of the spin $S$=1 hexamer cluster fedotovite-like A$_{2}$Cu$_{3}$O(SO$_4$)$_3$ (A$_2$=K$_2$, NaK, Na$_2$): a neutron diffraction study

V. Yu. Pomjakushin; A. Podlesnyak; A. Furrer; E. V. Pomjakushina

doi:10.1103/physrevb.109.144409

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arXiv · 2312.11277

Long range 3D magnetic structures of the spin $S$=1 hexamer cluster fedotovite-like A$_{2}$Cu$_{3}$O(SO$_4$)$_3$ (A$_2$=K$_2$, NaK, Na$_2$): a neutron diffraction study

V. Yu. Pomjakushin·A. Podlesnyak·A. Furrer·E. V. Pomjakushina

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Abstract

The crystal and magnetic structures of the spin $S$=1 hexamer cluster fedotovite-like A$_{2}$Cu$_{3}$O(SO$_4$)$_3$ (A$_2$=K$_2$, NaK, Na$_2$) were studied by neutron powder diffraction at temperatures 1.6-290 K. The crystal structures in all compounds are well refined in the monoclinic space group C2/c. The basic magnetic units of the compounds are copper hexamers which are coupled by weak superexchange interactions giving rise to three-dimensional long-range magnetic order below $3.0 $ for the simplest symmetric spin Hamiltonian (obtained from inelastic neutron spectroscopy) of the isolated hexamers in the mean field, amounted to $\left<{s}\right>$=3/8 for side spins Cu1 and Cu2 and $\left<{s}\right>$=1/4 for Cu3 in the middle. The Cu spins are FM coupled in pairs and AFM between neighboring pairs. The experimental magnetic moments of the Cu$^{2+}$ ions turn out to be not completely collinear due to spin frustrations within the weak interhexamer interactions. The sizes of magnetic moments of Cu in the hexamers determined from the diffraction data are in fair agreement with the calculated values.

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V. Yu. Pomjakushin, A. Podlesnyak, A. Furrer, E. V. Pomjakushina. 2023-12-18. Long range 3D magnetic structures of the spin $S$=1 hexamer cluster fedotovite-like A$_{2}$Cu$_{3}$O(SO$_4$)$_3$ (A$_2$=K$_2$, NaK, Na$_2$): a neutron diffraction study. https://doi.org/10.1103/physrevb.109.144409

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