铁电 NbOI$_{2}$ 中的巨大电光和弹光效应

Zhenlong Zhang, Xuehan Di, Charles Paillard, Laurent Bellaiche, Zhijun Jiang
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引用次数: 0

摘要

通过第一性原理计算,研究了三维(块状)和二维(单层)铁电 NbOI$_{2}$ 的电光效应和弹光效应。我们发现,在无应力条件下,这两个系统的线性光电效应和弹性光电效应系数都非常大。我们进一步发现,体层和单层 NbOI$_{2}$ 的 EO 响应可以随着外延应变的增加而进一步增强,这是因为应变驱动了铁电到准电的转变,这种转变源于某些极性光学模式的软化。因此,我们的研究结果表明,NbOI$_{2}$ 以及其他氧化铌二卤化物极有希望为潜在的高效非线性光学器件应用铺平道路。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Giant electro-optic and elasto-optic effects in ferroelectric NbOI$_{2}$
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.
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