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- W4313483907 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." @default.
- W4313483907 created "2023-01-06" @default.
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- W4313483907 date "2023-01-01" @default.
- W4313483907 modified "2023-09-30" @default.
- W4313483907 title "2D to 1D magnetic interactions evolution in Cu$_2$F$_{5-x}$ through electron doping by fluoride non-stoichiometry" @default.
- W4313483907 doi "https://doi.org/10.48550/arxiv.2301.00396" @default.
- W4313483907 hasPublicationYear "2023" @default.
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