Coupling of the electronic band structure with A_g phonon modes in Y123 and Y124 systems

摘要

Ab initio frozen-phonon calculations have been performed for k = 0 A_g Raman modes of two superconducting systems Y123 and Y124. We have used the local density approximation pseudopotential method in our calculations by VASP code. Results have been compared with other computational and experimental data for similar systems. Then we present changes of electronic band structure with the change of ionic positions in each A_g mode for both systems.