Quantitative theory of superconductivity in doped C60

I. I. Mazin, Sergey Rashkeev, V. P. Antropov, O. Jepsen, A. I. Liechtenstein, O. K. Andersen

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Abstract

The electronic part (the Hopfield factor) of the electron-phonon coupling constant for alkali-metal-doped fullerenes A3C60 is calculated within the rigid muffin-tin-potential approximation. It is found that is large for tangential atomic motions, while for the radial vibrations is 20 times smaller. We have calculated for three lattice constants (a=14.1, 14.4, and 14.6) corresponding approximately to those of C60, Rb3C60, and (hypothetical) Cs3C60, and found =21, 32, and 36 eV/Ai2. Using semiempirical nearest-neighbor force constants we estimated =0.49, 0.77, and 0.83, and log=870 cm-1 for the average phonon frequency. The McMillan formula yields Tc=5, 36, and 44 K for these lattice constants, in reasonable agreement with the available experimental data. The relatively high-temperature superconductivity in A3C60, as well as the strong dependence of Tc on the dopant, is fully explained within the framework of the conventional superconductivity theory.

Original languageEnglish
Pages (from-to)5114-5117
Number of pages4
JournalPhysical Review B
Volume45
Issue number9
DOIs
Publication statusPublished - 1 Dec 1992
Externally publishedYes

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ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Mazin, I. I., Rashkeev, S., Antropov, V. P., Jepsen, O., Liechtenstein, A. I., & Andersen, O. K. (1992). Quantitative theory of superconductivity in doped C60. Physical Review B, 45(9), 5114-5117. https://doi.org/10.1103/PhysRevB.45.5114