Publication:
Identifying and Controlling the Order Parameter for Ultrafast Photoinduced Phase Transitions in Thermosalient Materials

dc.contributor.authorGhasemlou, Saba
dc.contributor.authorLi, Xinyue
dc.contributor.authorGalimberti, Daria R.
dc.contributor.authorNikitin, Timur
dc.contributor.authorFAUSTO, RUI
dc.contributor.authorXu, Jialiang
dc.contributor.authorHolleman, Steven
dc.contributor.authorRasing, Theo
dc.contributor.authorCuppen, Herma M.
dc.date.accessioned2024-12-16T08:09:12Z
dc.date.available2024-12-16T08:09:12Z
dc.date.issued2024
dc.description.abstractThe drastic shape deformation that accompanies the structural phase transition in thermosalient materials offers great potential for their applications as actuators and sensors. The microscopic origin of this fascinating effect has so far remained obscure, while for technological applications, it is important to learn how to drive transitions from one phase to another. Here, we present a combined computational and experimental study, in which we have successfully identified the order parameter for the thermosalient phase transition in the molecular crystal 2,7-di([1,1’-biphenyl]-4-yl)-fluorenone. Molecular dynamics simulations reveal that the transition barrier vanishes at the transition temperature. The simulations further show that two low-frequency vibrational-librational modes are directly related to the order parameter that describes this phase transition, which is supported by experimental Raman spectroscopy studies. By applying a computational THz pulse with the proper frequency and amplitude we predict that we can photoinduce this phase transition on a picosecond timescale. © 2024 the Author(s).en
dc.description.sponsorshipNetherlands Organization for Scientific Research (NWO) Laserlab-Europe [European Union] China Scholarship Council EU-H2020, and innovation program under the European Research Council ERC
dc.identifier121
dc.identifier.citationGhasemlou, S., Li, X., Galimberti, D. R., Nikitin, T., Fausto, R., Xu, J., ... & Cuppen, H. M. (2024). Identifying and controlling the order parameter for ultrafast photoinduced phase transitions in thermosalient materials. Proceedings of the National Academy of Sciences, 121(46), e2408366121.
dc.identifier.issn0027-8424
dc.identifier.pubmed39499639
dc.identifier.scopus2-s2.0-85208602472
dc.identifier.urihttps://doi.org/10.1073/pnas.2408366121
dc.identifier.urihttps://hdl.handle.net/11413/9333
dc.identifier.wos001360805000003
dc.language.isoen
dc.publisherNational Academy of Sciences
dc.relation.journalProceedings of the National Academy of Sciences of the United States of America
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectMolecular Dynamics
dc.subjectMolecular Machines
dc.subjectPhase Transitions
dc.subjectTHz Spectroscopy
dc.titleIdentifying and Controlling the Order Parameter for Ultrafast Photoinduced Phase Transitions in Thermosalient Materialsen
dc.typeArticle
dspace.entity.typePublication
local.indexed.atwos
local.indexed.atscopus
local.indexed.atpubmed
local.journal.issue46

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