Akkus, HarunCabuk, SuleymanMamedov, Amirullah M.2025-05-102025-05-1020101985-57612232-1535https://hdl.handle.net/20.500.14720/16670We present a first principles calculations of the second-order optical response functions as well as the dielectric function for ABO(3) (A=K, Li, Bo; B=Ti, Ta, Nb) and A(5)B(6)C(7) (A=Sb; B=S, Se; C=I, Br) ferroelectrics. Specially, we evaluate the dielectric function epsilon(omega) = epsilon(1)(omega)-i epsilon(2)(omega) and the second harmonic generation response coefficient chi((2)) (-2 omega, omega, omega, omega) over a large frequency range. The electronic linear electro-optic susceptibility chi((2))(-omega, omega, omega, 0) is also evaluated below band gap. These results are based on the series of self-consistent LDA calculations within DFT.eninfo:eu-repo/semantics/closedAccessFerroelectricsOptical SusceptibilityAb Initio MethodsArticle32N/AQ45367WOS:000450415500005