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Theoretical Explanation of Superconductivity in C6Ca

Matteo Calandra, Francesco Mauri

DOI 10.1103/PhysRevLett.95.237002 · Physical Review Letters

T1

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Abstract

Using density functional theory, we demonstrate that superconductivity in C6Ca is phonon mediated with λ=0.83 and phonon frequency ⟨ω⟩log=24.7 meV. The calculated isotope exponents are α(Ca)=0.24 and α(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.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
C6Ca

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11Pressure not reportedunknown
C6Ca

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11.5Pressure not reportedunknown
C6Yb

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

6.5Pressure not reportedunknown
C2Na

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5Pressure not reportedunknown
KTI1.5C4

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

2.7Pressure not reportedunknown

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