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Ferroelastic twin wall mediated ferro-flexoelectricity and bulk photovoltaic effect in SrTiO$_3$

Materials Science 2023-10-17 v1

Abstract

Ferroelastic twin walls in nonpolar materials can give rise to a spontaneous polarization due to symmetry breaking. Nevertheless, the bi-stable polarity of twin walls and its reversal have not yet been demonstrated. Here, we report that the polarity of SrTiO3_3 twin walls can be switched by ultra-low strain gradient. Using first-principles-based machine-learning potential, we demonstrate that the twin walls can be deterministically rotated and realigned in specific directions under strain gradient, which breaks the inversion symmetry of a sequence of walls and leads to a macroscopic polarization. The system can maintain polarity even after the strain gradient is removed. As a result, the polarization of twin walls can exhibit ferroelectric-like hysteresis loop upon cyclic bending, namely ferro-flexoelectricity. Finally, we propose a scheme to experimentally detect the polarity of twin wall by measuring the bulk photovoltaic responses. Our findings suggest a twin-wall-mediated ferro-flexoelectricity in SrTiO3_3, which could be potentially exploited as functional elements in nano-electronic devices design.

Keywords

Cite

@article{arxiv.2310.10130,
  title  = {Ferroelastic twin wall mediated ferro-flexoelectricity and bulk photovoltaic effect in SrTiO$_3$},
  author = {Ri He and Haowei Xu and Peijun Yang and Kai Chang and Hua Wang and Zhicheng Zhong},
  journal= {arXiv preprint arXiv:2310.10130},
  year   = {2023}
}

Comments

5 figures, 14pages