Syed Ali Hashemizadeh (Ph.D.); Maryam Masoudi; Masomeh Arabikhah; Zahra Abasi Azad
Volume 2, Issue 2 , June 2019, , Pages 25-32
Abstract
In this study, optical properties of BaTiO3/SrTiO3/CaTiO3 compounds such as reflective index, extinction coefficient, absorption coefficient, reflectivity, energy loss spectrum and optical conductivity have been calculated and investigated in their stable phases, rhombohedral/ cubic/ orthohorombic phase ...
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In this study, optical properties of BaTiO3/SrTiO3/CaTiO3 compounds such as reflective index, extinction coefficient, absorption coefficient, reflectivity, energy loss spectrum and optical conductivity have been calculated and investigated in their stable phases, rhombohedral/ cubic/ orthohorombic phase with p4mm/m3m/pbnm space group respectively. The calculations have been conducted with pseudo-potential by GGA approximation in the frame work of Density Functional Theory. The obtained results for constant lattice after optimization, static dielectric constant, reflective index and plasma frequency have good accord with the experimental results and other theoretic studies. With respect to these quantities, perovskite oxides are good dielectrics. With respect to dielectic constants, and suitable optical absorbtion in the range of 4-12 eV, these perovskite oxides are good dielectrics. These compounds are transparent in energies above 13eV,and the maximum amount of conductivity occurs within 5eV. Also D coefficient calculated by Gladstone-Dale equation.