Electronic Correlation effects in superconducting picene from ab-initio calculations
Giovannetti, Gianluca · Capone, Massimo
Original · EN
We show, by means of ab-initio calculations, that electron-electron correlations play an important role in potassium-doped picene (Kₓ-picene), recently characterized as a superconductor with Tc = 18K. The inclusion of exchange interactions by means of hybrid functionals reproduces the correct gap for the undoped compound and predicts an antiferromagnetic state for x=3, where superconductivity has been observed. The latter finding is compatible with a sizable value of the correlation strength, in agreement with simple estimates. Our results highlight the similarity between potassium-doped picene and alkali-doped fulleride superconductors.
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