Abstract
Calculation of phonons, phonon scattering, spin–phonon coupling and magnetic relaxation rates for a dysprosocenium single-molecule magnet show that strong scattering of low-energy modes is a significant contribution to their high-performance. Developing molecular spin technologies requires microscopic knowledge of their spin-dynamics. Calculation of phonon modes, phonon scattering and spin–phonon coupling for a dysprosocenium single-molecule magnet (SMM) give simulations of spin-dynamics that agree with experiment. They show that low-energy phonon scattering is a significant contribution to the high-performance of dysprosocenium SMMs.
Original language | English |
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Pages (from-to) | 13915-13918 |
Number of pages | 4 |
Journal | Chemical Communications |
Volume | 60 |
Issue number | 94 |
Early online date | 23 Oct 2024 |
DOIs | |
Publication status | Published - 7 Dec 2024 |