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The role of phonons of optical and thermally switchable spin crossover materials

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ESRF Portal2028-01-01 更新2026-04-23 收录
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Spin switching in spin crossover (SCO) materials is governed by low energy phonons, but the physical phenomena which occur during the spin switch are still not fully understood at the microscopic level. Especially, it is not clear which phonons exactly support or inhibit the switching process. Spin switching in SCO compounds can be achieved thermally but also via light induced excited spin state trapping (LIESST). We propose using 57Fe nuclear inelastic scattering (NIS) to investigate the iron phonon density of states (pDOS) in the SCO complex Fe(PM-BiA)2(NCS)2 in its low spin (LS, S=0) and its high spin (HS, S=2) state both after thermal and optical excitation with an ultra high energy resolution of <0.1 meV using the spectrograph of beamline ID 14. DFT calculations will be used to reproduce the experimental pDOS. In this way we will be able to identify the specific phonon modes that govern the SCO transition in SCO systems.

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2028-01-01
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