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| VOLUME 117 (2023) | ISSUE 8 | PAGE 612 |
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Magnetic anisotropy of single-ion magnet (PPh4)2[ReF6] • 2H2O
L. S. Taran+, V. Y. Elfimova*, S. V. Streltsov+*
+M. N. Mikheev lnstitute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620137 Yekaterinburg, Russia *Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg, Russia
Abstract
Studying of single-molecule magnets has sprung many surprises such as, e.g., quantum tunneling of the magnetization, which is strongly related to the presence of a magnetic anisotropy. Electron spin resonance and inelastic neutron scattering measurements of (PPh4)2[ReF6]• 2H2O complex evidence an unprecedented large single-site magnetic anisotropy of  K in this material. Using
state-of-the-art ab initio calculations we found that the single-ion
anisotropy is indeed very large (but does not exceed 12 K) and revealed
the physical mechanism lying behind this phenomenon.
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