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  Simulating terahertz field-induced transient ferroeletricity in quantum paraelectric SrTiO3

Shin, D., Latini, S., Schäfer, C., Sato, S., Baldini, E., de Giovannini, U., et al. (2022). Simulating terahertz field-induced transient ferroeletricity in quantum paraelectric SrTiO3.

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2106.03957.pdf (Preprint), 5MB
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https://arxiv.org/abs/2106.03957 (Preprint)
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 Creators:
Shin, D.1, 2, Author              
Latini, S.1, 2, Author              
Schäfer, C.1, 2, Author              
Sato, S.1, 2, 3, Author              
Baldini, E.4, Author
de Giovannini, U.1, 2, 5, Author              
Hübener, H.1, 2, Author              
Rubio, A.1, 2, 5, 6, Author              
Affiliations:
1Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
2Center for Free Electron Laser Science, ou_persistent22              
3Center for Computational Sciences, University of Tsukuba, ou_persistent22              
4Department of Physics, Massachusetts Institute of Technology, ou_persistent22              
5Nano-Bio Spectroscopy Group, Departamento de Fisica de Materiales, Universidad del Paìs Vasco UPV/EHU , ou_persistent22              
6Center for Computational Quantum Physics (CCQ), The Flatiron Institute, ou_persistent22              

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Free keywords: Condensed Matter, Materials Science, cond-mat.mtrl-sci
 Abstract: Recent experiments have demonstrated that light can induce a transition from the quantum paraelectric to the ferroelectric phase of SrTiO3. Here, we investigate this terahertz field-induced ferroelectric phase transition by solving the time-dependent lattice Schrödinger equation based on first-principles calculations. We find that ferroelectricity originates from a light-induced mixing between ground and first excited lattice states in the quantum paraelectric phase. In agreement with the experimental findings, our study shows that the non-oscillatory second harmonic generation signal can be evidence of ferroelectricity in SrTiO3. We reveal the microscopic details of this exotic phase transition and highlight that this phenomenon is a unique behavior of the quantum paraelectric phase.

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Language(s): eng - English
 Dates: 2022-04-22
 Publication Status: Published online
 Pages: 13
 Publishing info: -
 Table of Contents: -
 Rev. Type: No review
 Identifiers: arXiv: 2106.03957
 Degree: -

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