Ultrafast quantum ionic dynamics to stabilize hidden phases of matter

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• Lorenzo Monacelli, University of Rome Sapienza
• Monday 17 February 2025, 14:00-14:30
• zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT09.

If you have a question about this talk, please contact Dr Sun-Woo Kim.

Advancements in laser technology have unlocked the potential to observe the real-time dynamics of nuclei on the femtosecond scale. Strontium titanate (SrTiO3) presents a unique case as a quantum paraelectric material characterized by its near-ferroelectric transition at low temperatures, which is inhibited by quantum nuclear fluctuations. I will present the first atomistic and ab initio simulation of the time-resolved quantum nuclear dynamics of SrTiO3 under pulsed THz radiation. Our novel approach [1] accurately replicates the spectral features identified in time-resolved X-ray signals (like energy upconversion [2]) without any fitted parameter but also reveals the complex energy redistribution processes among all modes following phonon-phonon scattering. We also show how it is possible to stabilize a dynamical ferroelectric phase [3,4] thanks to the transient strain induced by the nonlinear dynamics of nuclei. We demonstrate how first principles simulation can aid the design of nonequilibrium nuclear motion to stabilize hidden phases of matter.

[1] L Monacelli and F Mauri, Phys. Rev. B 103 , 104305 (2021) [2] M Kozina et al, Nat Phys, 15, 387 (2019) [3] T F Nova et al, Science, 364, 1075 (2019) [4] X Li et al, Science, 364, 1079 (2019)

This talk is part of the Lennard-Jones Centre series.

This talk is included in these lists:

• Hanchen DaDaDash
• Lennard-Jones Centre
• zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT09

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