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Simulating Terahertz Field-Induced Ferroelectricity in Quantum Paraelectric SrTiO3

MPS-Authors
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Shin,  D.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;

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Latini,  S.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;

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Schäfer,  C.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;
Department of Microtechnology and Nanoscience, MC2, Chalmers University of Technology;

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Sato,  S.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;
Center for Computational Sciences, University of Tsukuba;

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de Giovannini,  U.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;
Universitá degli Studi di Palermo, Dipartimento di Fisica e Chimica—Emilio Segrè;

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Hübener,  H.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;

/persons/resource/persons22028

Rubio,  A.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;
Nano-Bio Spectroscopy Group, Departamento de Fisica de Materiales, Universidad del Paìs Vasco UPV/EHU ;
Center for Computational Quantum Physics (CCQ), The Flatiron Institute;

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Fulltext (public)

PhysRevLett.129.167401.pdf
(Publisher version), 855KB

Supplementary Material (public)

Supplementary_Materials.pdf
(Supplementary material), 7MB

Citation

Shin, D., Latini, S., Schäfer, C., Sato, S., Baldini, E., de Giovannini, U., et al. (2022). Simulating Terahertz Field-Induced Ferroelectricity in Quantum Paraelectric SrTiO3. Physical Review Letters, 129(16): 167401. doi:10.1103/PhysRevLett.129.167401.


Cite as: https://hdl.handle.net/21.11116/0000-0008-A9F6-4
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 nonoscillatory 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.