Title: Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets
17.12.2019 |
Summary
For the first time, single-crystal synchrotron X-ray diffraction has been used to determine the charge density of functional lanthanide-based single molecule magnets. The resulting valence electronic density has been used to verify the predicted overall oblate character for the central dysprosium ion, while the exact behavior allowed a quantitative determination of the wavefunction composition, shown to be far less pure than predicted by high-level relativistic theoretical calculations.
Authors
Chen Gao, Alessandro Genoni, Song Gao, Shangda Jiang, Alessandro Soncini and Jacob Overgaard
Link to paper
https://doi.org/10.1038/s41557-019-0387-6
