Impact of crystal structure on electron-phonon coupling and phonon-mediated properties, The
The impact of crystal structure on electron-phonon coupling (EPC) was analyzed by computing (i) the electron-phonon mediated superconductivity and (ii) electron-phonon induced eigenenergy renormalizations. Our primary goal is to compare these EPC effects in a wide range of materials with various crystal symmetries and compositions in order to re- veal the connection between EPC and crystal structure. First-principles calculations were done employing the density functional theory (DFT) and the density functional perturbation theory (DFPT) within the linear-response approach, for obtaining ...
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