English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Molecular vibrations are increasingly seen as a key factor for spin dynamicsin single-ion magnets and molecular spin qubits. Herein we show how aninexpensive combination of molecular dynamics calculations and a crystal fieldanalysis can be employed to obtain a dynamical picture of the crystal fieldsplitting. We present the time evolution during 500ns of the spin energy levelsin a terbium complex. Our calculations evidence an amplitude of up to tens ofcm-1 for the oscillations of the spin energy levels in the fs time scale.Crucially, we also see that the oscillations average out and practicallydisappear at longer time scales, thus ruling out the modulation of spin energylevels by phonons of long wavelength $\lambda$ (up to $\lambda$ = 40 $\AA$).Our results are compatible with the common approximation of focusing on localvibrations, but at the same time highlight the risks of assuming that the spinenergy levels are time- and temperature-independent.

Sub-picosecond molecular dynamics modulate the energies of spin states for hundreds of nanoseconds