Modeling temperature, frequency, and strain effects on the linear electro-optic coefficients of ferroelectric oxides
Modeling temperature, frequency, and strain effects on the linear electro-optic coefficients of ferroelectric oxides
复制标题
DOI：
10.1063/5.0090072
复制
发表时间：
2021-06
影响因子：
3.2
通讯作者：
Yang Liu;Guodong Ren;Tengfei Cao;Rohan Mishra;J. Ravichandran
中科院分区：
文献类型：
--
作者：
Yang Liu;Guodong Ren;Tengfei Cao;Rohan Mishra;J. Ravichandran
电光调制器提供了利用电场调制光在材料中的传播的功能，并实现了基于电子学的计算和基于光子学的通信之间的无缝连接。寻找具有大电光系数和低光学损耗的材料是提高电光器件效率和减小器件尺寸的关键。将第一性原理密度泛函理论计算与Landau-Devonshire唯象模型相结合，提出了一种计算铁电材料电光系数的半经验方法。我们应用这种方法研究了三种典型的铁电氧化物：BaTiO_3、LiNbO_3和LiTaO_3的电光常数，也称为Pockels系数。我们给出了用我们的方法计算的与温度、频率和应变相关的电光张量。预测的电光常数与实验结果相吻合，并为实验验证提供了基准。
An electro-optic modulator offers the function of modulating the propagation of light in a material with an electric field and enables a 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.