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arXiv · 2106.02998

Modeling Temperature, Frequency, and Strain Effects on the Linear Electro-Optic Coefficients of Ferroelectric Oxides

Yang Liu·Guodong Ren·Tengfei Cao·Rohan Mishra·Jayakanth Ravichandran
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Abstract

An electro-optic modulator offers the function of modulating the propagation of light in a material with electric field and enables seamless connection between electronics-based computing and photonics-based communication. The search for materials with large electro-optic coefficients and low optical loss is critical to increase the efficiency and minimize the size of electro-optic devices. We present a semi-empirical method to compute the electro-optic coefficients of ferroelectric materials by combining first-principles density-functional theory calculations with Landau-Devonshire phenomenological modeling. We apply the method to study the electro-optic constants, also called Pockels coefficients, of three paradigmatic ferroelectric oxides: BaTiO3, LiNbO3, and LiTaO3. We present their temperature-, frequency- and strain-dependent electro-optic tensors calculated using our method. The predicted electro-optic constants agree with the experimental results, where available, and provide benchmarks for experimental verification.

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Yang Liu, Guodong Ren, Tengfei Cao, Rohan Mishra, Jayakanth Ravichandran. 2021-06-06. Modeling Temperature, Frequency, and Strain Effects on the Linear Electro-Optic Coefficients of Ferroelectric Oxides. https://doi.org/10.1063/5.0090072

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