Abstract
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 BaTiO_{3}, 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 Ba_{1-x}Sr_{x}TiO_{3} 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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