Using density functional theory, we demonstrate that superconductivity in C6Ca is phonon mediated with lambda=0.83 and phonon frequency (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.

Theoretical explanation of superconductivity in C6Ca / Calandra, M.; Mauri, F.. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 95:23(2005). [10.1103/PhysRevLett.95.237002]

Theoretical explanation of superconductivity in C6Ca

Mauri F.
2005

Abstract

Using density functional theory, we demonstrate that superconductivity in C6Ca is phonon mediated with lambda=0.83 and phonon frequency (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.
2005
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Theoretical explanation of superconductivity in C6Ca / Calandra, M.; Mauri, F.. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 95:23(2005). [10.1103/PhysRevLett.95.237002]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1336000
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