Investigation of spin-orbit effect on superconductivity with density functional theory

In this study structural, electronic, vibrational and electron-phonon interaction properties of superconducting materials, which are possess different crystal structure, are investigated by using density functional theory. In this calculations the effect of spin-orbit interaction on physical properties for ths materials is investigated and presented. For each different crystal structure, the effect of spin-orbit interaction is thoroughly studied and differentiate if the spin-orbit interaction is important or not. It is observed that when the materials' Fermi level is dominated with the transverse metals' d-shell, spin-orbit interaction is quite important. At the same time in a noncentrosymmetric material the Rashba type spin-orbit interaction cause a gradient electic field in the crystal and make the spin-dependent functions became important.