Simulating terahertz field-induced transient ferroeletricity in quantum paraelectric SrTiO 3

Physical Review Letters (submitted), (2021)

Simulating terahertz field-induced transient ferroeletricity in quantum paraelectric SrTiO 3

Dongbin Shin, Simone Latini, Christian Schafer, Shunsuke A. Sato, Edoardo Baldini, Umberto De Giovannini, Hannes Hubener, Angel Rubio

Recent experiments have demonstrated that intense terahertz (THz) fields can induce a transition from the quantum paraeletric to the ferroeletric phase of SrTiO$_3$. Here, we investigate this THz field-induced transient ferroeletric phase transition by solving the time-dependent lattice Sch\"odinger equation based on first-principles calculations. We find that transient ferroeletricity originates from a light-induced mixing between ground and first excited lattice states in the quantum paraeletric phase. In agreement with the experimental findings, our study shows that the non-oscillatory second harmonic generation signal can be evidence of transient ferroeletricity in SrTiO$_3$. We reveal the microscopic details of this exotic phase transition and highlight that this phenomenon is a unique behavior of the quantum paraeletric phase.

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http://arxiv.org/abs/2106.03957
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We acknowledge financial support from the European Research Council (ERC-2015-AdG- 694097), Grupos Consolidados (IT1249-19), JSPS KAKENHI Grant Number 20K14382, the Cluster of Excellence 'CUI: Advanced Imaging of Matter' of the Deutsche Forschungsgemeinschaft (DFG) - EXC 2056 - project ID 390715994. D.S. and S.L. are supported by Alexander von Humboldt Foundation. We also acknowledge support from the Max Planck{New York Center for Non-Equilibrium Quantum Phenomena. The Flatiron Institute is a division of the Simons Foundation.

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