2D to 1D magnetic interactions evolution in Cu${}_2$F${}_{5-x}$ through electron doping by fluoride non-stoichiometry

Abstract

The copper fluoride Cu${}_2$F${}_5$ is a compound with 2D-magnetic exchange interactions between the Cu ions in the $S=1$ and $S=\frac{1}{2}$ spin-states. Using ab-initio calculations, we predict that the existence of 5% vacancies in the fluoride sublattice of Cu${}_2$F${}_5$ results in the drastic transformation of the spin-state of all copper ions and the final spin-states are $S=\frac{1}{2}$ and $S=0$. Consequently, the anisotropy of magnetic interactions increases, and the 1D linear chains of the Cu $d^9$, $S=\frac{1}{2}$ ions appear. We also propose a microscopic mechanism of such exchange interaction transformation via CuO${}_6$ octahedra elongation.

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Cited by in corpus (1)

• Magnon bands and transverse transport in a proposed two-dimensional $C{u}_2{F}_5$ ferrimagnet