Browsing by Author "Kaval, M."
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Article Dft Study of Electronic and Optical Properties of Paraelectric Agnbo3 Crystal Under 0-50 Gpa Pressure(indian Assoc Cultivation Science, 2017) Erdinc, B.; Kaval, M.We performed first-principles calculations on band structures and optical properties of perovskite AgNbO3 compound in paraelectric phase under 0-50 GPa employing DFT within LDA with ABINIT package. The band gaps and optical properties under pressure were studied and discussed. Moreover, real and imaginary parts of complex dielectric function, energy-loss spectrum, refractive index, extinction and absorption coefficients under pressure were obtained and discussed.
