Intercalant and intermolecular phonon assisted superconductivity in K-doped picene

preprint2011arXivOpen access

Abstract

K3_3-picene is a superconducting molecular crystal with critical temperature Tc=7_c=7K or 18K, depending on preparation conditions. Using density functional theory we show that electron-phonon interaction accounts for Tc 3−8_c ~ 3-8 K. The average electron-phonon coupling, calculated by including the phonon energy scale in the electron-phonon scattering, is λ=0.73λ=0.73 and ωlog=18.0 ω_{\rm log}=18.0\, meV. Intercalant and intermolecular phonon-modes contribute substantially (40%) to λλ as also shown by the isotope exponents of potassium (0.19) and carbon (0.31). The relevance of these modes makes superconductivity in K-doped picene peculiar and different from that of fullerenes.

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