Electronic correlation effects in superconducting picene from ab initio calculations (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• Electronic correlation effects in superconducting picene from ab initio calculations (Articolo in rivista) (literal)

Anno

• 2011-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1103/PhysRevB.83.134508 (literal)

Alternative label

• Gianluca Giovannetti (1,2); Massimo Capone (1,3) (2011)
  Electronic correlation effects in superconducting picene from ab initio calculations
  in Physical review. B, Condensed matter and materials physics
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Gianluca Giovannetti (1,2); Massimo Capone (1,3) (literal)

Pagina inizio

• 134508 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url

• http://link.aps.org/doi/10.1103/PhysRevB.83.134508 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 83 (literal)

Rivista

• Physical review. B, Condensed matter and materials physics (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 5 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 13 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• 1) ISC-CNR and Dipartimento di Fisica, Università di Roma \"La Sapienza,\" Piazzale A. Moro 5, I-00185 Rome, Italy 2) Institute for Theoretical Solid State Physics, IFW Dresden, D-01171 Dresden, Germany 3) Democritos National Simulation Center, CNR-IOM and Scuola Internazionale Superiore di Studi Avanzati (SISSA), Via Bonomea 265, Trieste, Italy (literal)

Titolo

• Electronic correlation effects in superconducting picene from ab initio calculations (literal)

Abstract

• We show, by means of ab initio calculations, that electron-electron correlations play an important role in potassium-doped picene (K(x)-picene), recently characterized as a superconductor with T(c) = 18 K. 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. These calculations, which do not require us to assume a value for the interaction strength, indirectly suggest that these materials should have a sizable ratio between the effective Coulomb repulsion U and the bandwidth. This is fully compatible with simple estimates of this ratio. Using these values of U in a simple effective Hubbard model, an antiferromagnetic state is indeed stabilized. Our results highlight the similarity between potassium-doped picene and alkali-doped fulleride superconductors. (literal)

Prodotto di

• High Temperature Superconductivity as a cure of bad metallic behaviour (MD.P02.021.001) (Modulo)

Autore CNR

• GIANLUCA GIOVANNETTI (Unità di personale interno)
• MASSIMO CAPONE (Unità di personale interno)

Insieme di parole chiave

• Parole chiave di "Electronic correlation effects in superconducting picene from ab initio calculations" (Insieme di parole chiave)

Incoming links:

Autore CNR di

• MASSIMO CAPONE (Unità di personale interno)
• GIANLUCA GIOVANNETTI (Unità di personale interno)

Prodotto

• High Temperature Superconductivity as a cure of bad metallic behaviour (MD.P02.021.001) (Modulo)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Physical review. B, Condensed matter and materials physics (Rivista)

Insieme di parole chiave di

• Parole chiave di "Electronic correlation effects in superconducting picene from ab initio calculations" (Insieme di parole chiave)