Giant electro-optic and elasto-optic effects in ferroelectric NbOI${}_2$

Abstract

First-principles calculations are performed to investigate the electro-optic (EO) and elasto-optic effects of the three-dimensional (bulk) and two-dimensional (monolayer) ferroelectric NbOI${}_2$. Remarkably large linear EO and elasto-optic coefficients are discovered in both systems, when under stress-free conditions. We further found that the EO responses of bulk and monolayer NbOI${}_2$ can be further enhanced with epitaxial strain, because of a strain-driven ferroelectric-to-paraelectric transition that originates from the softening of some polar optical modes. Our findings thus point out that NbOI${}_2$, as well as other niobium oxide dihalides are highly promising for paving the way for potentially efficient nonlinear optical device applications.

arXiv comment6 pages, 3 figures

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Cited by in corpus (5)

• Colossal terahertz emission with ultrafast tunability based on van der Waals ferroelectric NbOI${}_2$
• Photoinduced phase transitions and lattice deformation in 2D NbOX${}_2$ (X=Cl, Br, I)
• Electro-optic effects in some sliding ferroelectrics
• Transient Absorption Spectroscopy of NbOI${}_2$
• Emergent chirality and enantiomeric selectivity in layered NbOX${}_2$ crystals