Browsing International Journal of Nanoelectronics and Materials (IJNeaM) by Subject "Ab initio methods"
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Linear and nonlinear optical susceptibilities in some ferroelectrics: Ab-initio calculation
(Universiti Malaysia Perlis, 2010)We present a first principles calculations of the second-order optical response functions as well as the dielectrics function for ABO3 (A=K, Li, Ba; B=Ti, Ta, Nb) and A5B6C7 (A=Sb; B=S, Se; C=I, Br) ferroelectrics. Specially, ...