ArticleNature communications2024
Vibronic effects on the quantum tunnelling of magnetisation in Kramers single-molecule magnets.
Article in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed.
- Raman relaxation in Yb(iii) molecular qubits: non-trivial correlations between spin-phonon coupling and molecular structure.Chemical science · 2026Article
- Review
- Chiral Dysprosium-[7]Helicene Macrocycles Showing Record Single-Molecule Magnet Properties in the Lanthanide-Helicene Family.Journal of the American Chemical Society · 2025Article
- Relaxing amid Three: Slow Magnetization Relaxation in Three-Coordinate Chromium(II) N-Heterocyclic Carbene Complexes.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- The Spin-Phonon Relaxation Mechanism of Single-Molecule Magnets in the Presence of Strong Exchange Coupling.ACS central science · 2025Article
- Magnetic Hysteresis in a Dysprosium Bis(amide) Complex.Journal of the American Chemical Society · 2025Article
- Correction to Analytic Linear Vibronic Coupling Method for First-Principles Spin-Dynamics Calculations in Single-Molecule Magnets.Journal of chemical theory and computation · 2024Article
- Vibronic effects on the quantum tunnelling of magnetisation in Kramers single-molecule magnets.Nature communications · 2024Article
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Single-molecule magnets are among the most promising platforms for achieving molecular-scale data storage and processing. Their magnetisation dynamics are determined by the interplay between electronic and vibrational degrees of freedom, which can couple coherently, leading to complex vibronic dynamics. Building on an ab initio description of the electronic and vibrational Hamiltonians, we formulate a non-perturbative vibronic model of the low-energy magnetic degrees of freedom in monometallic single-molecule magnets. Describing their low-temperature magnetism in terms of magnetic polarons, we are able to quantify the vibronic contribution to the quantum tunnelling of the magnetisation, a process that is commonly assumed to be independent of spin-phonon coupling. We find that the formation of magnetic polarons lowers the tunnelling probability in both amorphous and crystalline systems by stabilising the low-lying spin states. This work, thus, shows that spin-phonon coupling subtly influences magnetic relaxation in single-molecule magnets even at extremely low temperatures where no vibrational excitations are present.
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Registered trials
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