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Electro-optic effects in some sliding ferroelectrics

Xueqing Wan1,*, Zhenlong Zhang1,*, Charles Paillard2,3, Jinyang Ni1,†, Lei Zhang1,‡, Zhijun Jiang1,4,§, and Laurent Bellaiche2,5

  • 1Ministry of Education Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, Shaanxi Province Key Laboratory of Advanced Functional Materials and Mesoscopic Physics, School of Physics, Xi'an Jiaotong University, Xi'an 710049, China
  • 2Smart Ferroic Materials Center, Physics Department and Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, Arkansas 72701, USA
  • 3Université Paris-Saclay, CentraleSupélec, CNRS, Laboratoire SPMS, 91190, Gif-sur-Yvette, France
  • 4State Key Laboratory of Surface Physics and Department of Physics, Fudan University, Shanghai 200433, China
  • 5Department of Materials Science and Engineering, Tel Aviv University, Ramat Aviv, Tel Aviv 6997801, Israel

  • *These authors contributed equally to this work.
  • †Contact author: jyni@xjtu.edu.cn
  • ‡Contact author: zhangleio@xjtu.edu.cn
  • §Contact author: zjjiang@xjtu.edu.cn

Phys. Rev. B 112, L140102 – Published 22 October, 2025

DOI: https://doi.org/10.1103/xhjd-kddc

Abstract

Sliding ferroelectrics, which exhibit out-of-plane polarization arising from specific stacking rather than conventional ionic displacements, are new types of ferroelectrics whose underdeveloped physics needs to be explored. Here, we investigate the electro-optic (EO) response of these materials using first-principles calculations, focusing on ZrI2 as a prototype. We reveal that, contrary to conventional ferroelectrics, the EO effect in ZrI2 is dominated by its electronic contribution rather than the ionic one, which promises faster EO responses. Furthermore, both biaxial and uniaxial strains significantly enhance this response, and a universal-like linear relationship between the band gap and such response is discovered. We also report a large elasto-optic coefficient that is independent of biaxial strain. Similar large linear EO coefficients and properties are found in other sliding ferroelectrics, including different zirconium dihalides, as well as BN and BP bilayers. These findings highlight sliding ferroelectrics as highly promising candidates for ultrafast nonlinear optical devices and reveal unusual EO mechanisms.

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