Journal
JOURNAL OF APPLIED PHYSICS
Volume 131, Issue 16, Pages -Publisher
AIP Publishing
DOI: 10.1063/5.0090072
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Funding
- Army Research Office [W911NF-21-1-0327]
- ARO [W911NF-19-1-0137]
- National Science Foundation (NSF) [DMR-2122071]
- Air Force Office of Scientific Research [FA9550-16-1-0335]
- NSF [DMR-1806147, DMR-2122070, DMR-1931610, ACI-1548562]
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This article presents a method for calculating the electro-optic coefficients of ferroelectric materials and applies it to study the electro-optic constants of BaTiO3, LiNbO3, and LiTaO3. The predicted constants agree with experimental results and provide benchmarks for experimental verification.
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. Published under an exclusive license by AIP Publishing.
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