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.
Samin Ebrahimi; Seis Ali Hashemizadeh-aghda
Volume 1, Issue 1 , May 2016, , Pages 21-28
Abstract
In this article, optic properties of AlInGaN compounds such as real and imaginary part of dielectric function, optical conductivity, refractive index and extinction index have been investigated. Calculation have performed using Full Potential Linear Approximation Plane Wave method inDensity Functional ...
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In this article, optic properties of AlInGaN compounds such as real and imaginary part of dielectric function, optical conductivity, refractive index and extinction index have been investigated. Calculation have performed using Full Potential Linear Approximation Plane Wave method inDensity Functional Theory framework by WIEN2K package.
Finally, the optical properties of these compounds were examined which confirmed the results of the electronic and band structures. We also noticed that the VBM of these alloys is higher than the GaN in the fixed band gap. So it is expected that these alloys are doped much easier than P-type semiconductors.