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Unresolved problems in superconductivity of CaC6

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 Added by Igor Mazin
 Publication date 2006
  fields Physics
and research's language is English




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We discuss the current status of the theory of the high-temperature superconductivity in intercalated graphites YbC6 and CaC6. We emphasize that while the general picture of conventional, phonon-driven superconductivity has already emerged and is generally accepted, there are still interesting problems with this picture, such as weak-coupling regime inferred from specific heat suggesting coupling exclusively with high-energy carbon phonons coming in direct contradiction with the isotope effect measurements suggesting coupling exclusively with the low-energy intercalant modes. At the same time, the first principle calculations, while explaining Tc, contradict both of the experiments above by predicting equal coupling with both groups of phonons.



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By means of synchrotron X-ray diffraction, we studied the effect of high pressure, P, up to 13 GPa on the room temperature crystal structure of superconducting CaC6. In this P range, no change of the pristine space group symmetry, textit{R=3m}, is found. However, at 9 GPa, i.e. close to the critical value at which a large T_c reduction was reported recently, we observed a compressibility jump concomitant to a large broadening of Bragg peaks. The reversibility of both effects upon depressurization and symmetry arguments give evidence of an order-disorder phase transition of second order, presumably associated with the Ca sublattice, which provides a full account for the above Tc reduction.
Point-contact tunneling on CaC$_6$ crystals reproducibly reveals superconducting gaps, $Delta$, of 2.3$pm$0.2 meV which are $sim$~40% larger than earlier reports. That puts CaC$_6$ into the class of very strong-coupled superconductors since 2$Delta$/kT$_csim$~4.6. Thus soft Ca phonons will be primarily involved in the superconductivity, a conclusion that explains the large Ca isotope effect found recently for CaC$_6$. Consistency among superconductor-insulator-normal metal (SIN), SIS and Andreev reflection (SN) junctions reinforces the intrinsic nature of this result.
199 - Amy Y. Liu , I. I. Mazin 2006
We show that a recently predicted layered phase of lithium monoboride, Li2B2, combines the key mechanism for strong electron-phonon coupling in MgB2 (i.e., interaction of covalent B sigma bands with B bond-stretching modes) with the dominant coupling mechanism in CaC6 (i.e., interaction of free-electron-like interlayer states with soft intercalant modes). Yet, surprisingly, the electron-phonon coupling in Li2B2 is calculated to be weaker than in either MgB2 or CaC6. We demonstrate that this is due to the accidental absence of B pi states at the Fermi level in Li2B2. In MgB2, the pi electrons play an indirect but important role in strengthening the coupling of sigma electrons. Doping Li2B2 to restore pi electrons at the Fermi level is expected to lead to a new superconductor that could surpass MgB2 in Tc.
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