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Large linear and nonlinear electro-optic coefficients in two-dimensional ferroelectrics

Zhijun Jiang1,2,3,*, Charles Paillard3,4,*, Hugh O. H. Churchill3, Minggang Xia1, Shengli Zhang1, Hongjun Xiang2,5,6,†, and L. Bellaiche3,‡

  • 1MOE 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
  • 2Key Laboratory of Computational Physical Sciences (Ministry of Education), State Key Laboratory of Surface Physics, and Department of Physics, Fudan University, Shanghai 200433, China
  • 3Physics Department and Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, Arkansas 72701, USA
  • 4Université Paris-Saclay, CentraleSupélec, CNRS, Laboratoire SPMS, 91190 Gif-sur-Yvette, France
  • 5Collaborative Innovation Center of Advanced Microstructures, Nanjing 210093, China
  • 6Shanghai Qi Zhi Institute, Shanghai 200030, China

  • *These authors contributed equally to this work.
  • †hxiang@fudan.edu.cn
  • ‡laurent@uark.edu

Phys. Rev. B 106, L081404 – Published 15 August, 2022

DOI: https://doi.org/10.1103/PhysRevB.106.L081404

Abstract

Analytical derivations and first-principles calculations are performed to investigate the electro-optic (EO) response of the two-dimensional ferroelectric SnS in its monolayer form. In addition to derive the formula for EO coefficients for two-dimensional systems, large linear and nonlinear electro-optic coefficients are discovered, along with a strongly nonlinear electro-optic response as a function of electric field. The origin of these electro-optic responses is further found and involves a few specific phonon modes, in general, and the evolution of their frequencies and atomic characteristics under electric fields, in particular. Large linear and nonlinear electro-optic coefficients can be found in other two-dimensional ferroelectrics, paving the way for potential optical device applications.

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