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arXiv · 2601.17150

Thermodynamics of Ferroelectric and Optical Properties in KNbO3

Aiden Ross·Venkatraman Gopalan·Long-Qing Chen
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Abstract

Potassium niobate (KNbO3) is a prototypical perovskite ferroelectric with large electro-optic and nonlinear optical responses, high optical damage thresholds and a rich sequence of temperature-driven phase transformations, making it a promising platform for tunable photonic devices. In this work, we develop a thermodynamic model for the coupled ferroelectric and optical properties of KNbO3. By separating the total polarization into lattice and electronic contributions, the model provides a unified description of both the anisotropic ferroelectric and optical properties. The thermodynamic coefficients are determined by fitting to experimental measurements of the spontaneous polarization, dielectric susceptibilities, lattice parameters, and refractive indices. Without any further fitting, the model quantitatively predicts the temperature dependence of the electro-optic and piezoelectric coefficients in close agreement with experimental measurements. By utilizing the electronic polarization equation of motion, the model further captures the optical dispersion in the near infrared to visible spectrum. This work provides the thermodynamic foundation for future studies of coupled ferroelectric and optical phenomena in KNbO3.

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Aiden Ross, Venkatraman Gopalan, Long-Qing Chen. 2026-01-23. Thermodynamics of Ferroelectric and Optical Properties in KNbO3. https://arxiv.org/abs/2601.17150

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