[HTML][HTML] Analysis of vibronic coupling in a 4f molecular magnet with FIRMS

JGC Kragskow, J Marbey, CD Buch, J Nehrkorn… - Nature …, 2022 - nature.com
Vibronic coupling, the interaction between molecular vibrations and electronic states, is a
fundamental effect that profoundly affects chemical processes. In the case of molecular …

[HTML][HTML] Spin–phonon couplings in transition metal complexes with slow magnetic relaxation

DH Moseley, SE Stavretis, K Thirunavukkuarasu… - Nature …, 2018 - nature.com
Spin–phonon coupling plays an important role in single-molecule magnets and molecular
qubits. However, there have been few detailed studies of its nature. Here, we show for the …

How do phonons relax molecular spins?

A Lunghi, S Sanvito - Science advances, 2019 - science.org
The coupling between electronic spins and lattice vibrations is fundamental for driving
relaxation in magnetic materials. The debate over the nature of spin-phonon coupling dates …

[HTML][HTML] Intra-molecular origin of the spin-phonon coupling in slow-relaxing molecular magnets

A Lunghi, F Totti, S Sanvito, R Sessoli - Chemical science, 2017 - pubs.rsc.org
We perform a systematic investigation of the spin-phonon coupling leading to spin relaxation
in the prototypical mononuclear single molecule magnet [(tpaPh) Fe]−. In particular we …

Determining key local vibrations in the relaxation of molecular spin qubits and single-molecule magnets

L Escalera-Moreno, N Suaud… - The journal of …, 2017 - ACS Publications
To design molecular spin qubits and nanomagnets operating at high temperatures, there is
an urgent need to understand the relationship between vibrations and spin relaxation …

Ligand Fluorination to Mitigate the Raman Relaxation of DyIII Single‐Molecule Magnets: A Combined Terahertz, Far‐IR and Vibronic Barrier Model Study

Y Ma, YQ Zhai, QC Luo, YS Ding… - Angewandte …, 2022 - Wiley Online Library
The fast Raman relaxation process via a virtual energy level has become a puzzle for how to
chemically engineer single‐molecule magnets (SMMs) with better performance. Here, we …

[图书][B] Single-molecule magnets and related phenomena

R Winpenny, G Aromí - 2006 - Springer
" The book succeeds at presenting the diversity of approaches required and used to
understand and exploit single-molecule magnets (SMMs)…. The references are …

Analytic linear vibronic coupling method for first-principles spin-dynamics calculations in single-molecule magnets

JK Staab, NF Chilton - Journal of Chemical Theory and …, 2022 - ACS Publications
Accurate modeling of vibronically driven magnetic relaxation from ab initio calculations is of
paramount importance to the design of next-generation single-molecule magnets (SMMs) …

[HTML][HTML] Single-molecule magnets beyond a single lanthanide ion: the art of coupling

YC Chen, ML Tong - Chemical Science, 2022 - pubs.rsc.org
The promising future of storing and processing quantized information at the molecular level
has been attracting the study of Single-Molecule Magnets (SMMs) for almost three decades …

Origins of slow magnetic relaxation in single-molecule magnets

L Gu, R Wu - Physical Review Letters, 2020 - APS
Exponential and power law temperature dependences are widely used to fit experimental
data of magnetic relaxation time in single molecular magnets. We derived a theory to show …