Theoretical explanation of superconductivity in C6Ca -: art. no. 237002

Using density functional theory, we demonstrate that superconductivity in C6Ca is phonon mediated with lambda=0.83 and phonon frequency <omega >(log)=24.7 meV. The calculated isotope exponents are alpha(Ca)=0.24 and alpha(C)=0.26. Superconductivity is due mostly to C vibrations perpendicular and Ca vibrations parallel to the graphite layers. Since the electron-phonon couplings of these modes are activated by the presence of an intercalant Fermi surface, the occurrence of superconductivity in graphite intercalated compounds requires a noncomplete ionization of the intercalant.