Research Data for "An ab initio study of magnetic relaxation in a dysprosocenium single-molecule magnet"
收藏DataCite Commons2024-07-31 更新2025-04-17 收录
下载链接：
https://figshare.manchester.ac.uk/articles/dataset/Research_Data_for_An_ab_initio_study_of_magnetic_relaxation_in_a_dysprosocenium_single-molecule_magnet_/26378074
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资源简介：
The data includes optimised crystal structure and phonon data, spin-phonon couplings and magnetic relaxation rates for the dysprosocenium single-molecule magnet [DyCp<sup>ttt</sup><sub>2</sub>][B(C<sub>6</sub>F<sub>5</sub>)<sub>4</sub>]. These data allow us to calculate how the unpaired electron spins in the molecule interact with the phonon bath of the molecular crystal and consequently the timescales of spin-lattice relaxation as a function of temperature.
提供机构：
University of Manchester
创建时间：
2024-07-26
