Browsing by Author "Cabuk, Suleyman"

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    Linear and Nonlinear Optical Susceptibilities in Some Ferroelectrics: Ab-Initio Calculation
    (Unimap Press, 2010) Akkus, Harun; Cabuk, Suleyman; Mamedov, Amirullah M.
    We 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.