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Article Dans Une Revue Physical Review Letters Année : 2024

Crossover from Linear to Quadratic Electro-optic Behavior in BaTiO3 and (Ba, Sr)TiO3 Solid Solution

Résumé

We derive a numerical method based on coupled density functional theory and effective Hamiltonian schemes to calculate the linear and quadratic electro-optic response of ferroelectrics at finite temperature and in different frequency ranges. By applying the developed method to BaTiO3, we successfully resolve apparent discrepancies in the experimental literature that reported a linear or quadratic electro-optic response when visible or terahertz radiation was employed to measure the optical index, respectively. We further demonstrate that (and explain why), in the case of the Ba1−xSrxTiO3 disordered solid solutions, structural phase transitions not only lead to larger linear electro-optic constants, as previously demonstrated in the literature, but also significantly enhance the quadratic electro-optic constants.
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Dates et versions

hal-04571468 , version 1 (07-05-2024)

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Sergey Prosandeev, Charles Paillard, L. Bellaiche. Crossover from Linear to Quadratic Electro-optic Behavior in BaTiO3 and (Ba, Sr)TiO3 Solid Solution. Physical Review Letters, 2024, 132 (19), pp.196901. ⟨10.1103/PhysRevLett.132.196901⟩. ⟨hal-04571468⟩
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