Estimate of the Coulomb correlation energy in CeAg2Ge2 from inverse photoemission and high resolution photoemission spectroscopy (Articolo in rivista)

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Label
  • Estimate of the Coulomb correlation energy in CeAg2Ge2 from inverse photoemission and high resolution photoemission spectroscopy (Articolo in rivista) (literal)
Anno
  • 2014-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1088/0953-8984/26/33/335502 (literal)
Alternative label
  • Banik, Soma; Arya, A.; Bendounan, Azzedine; Maniraj, M.; Thamizhavel, A.; Vobornik, I.; Dhar, S. K.; Deb, S. K. (2014)
    Estimate of the Coulomb correlation energy in CeAg2Ge2 from inverse photoemission and high resolution photoemission spectroscopy
    in Journal of physics. Condensed matter (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Banik, Soma; Arya, A.; Bendounan, Azzedine; Maniraj, M.; Thamizhavel, A.; Vobornik, I.; Dhar, S. K.; Deb, S. K. (literal)
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  • 26 (literal)
Rivista
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  • 8 (literal)
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  • 33 (literal)
Note
  • ISI Web of Science (WOS) (literal)
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  • Raja Ramanna Ctr Adv Technol; Bhabha Atomic Research Center; Synchrotron SOLEIL; UGC DAE Consortium Sci Res; Tata Institute of Fundamental Research; Consiglio Nazionale delle Ricerche (CNR) (literal)
Titolo
  • Estimate of the Coulomb correlation energy in CeAg2Ge2 from inverse photoemission and high resolution photoemission spectroscopy (literal)
Abstract
  • The occupied and the unoccupied electronic structure of CeAg2Ge2 single crystal has been studied using high resolution photoemission and inverse photoemission spectroscopy, respectively. High resolution photoemission reveals the clear signature of Ce 4f states in the occupied electronic structure which was not observed clearly in our earlier studies. The Coulomb correlation energy in this system has been determined experimentally from the position of the 4f states above and below the Fermi level. Theoretically, the correlation energy has been determined by using the first principles density functional calculations within the generalized gradient approximations taking into account the strong intra-atomic (on-site) interaction Hubbard U-eff term. The calculated valence band shows minor changes in the spectral shape with increasing U-eff due to the fact that the density of Ce 4f state is narrow in the occupied part and is hybridized with the Ce 5d, Ag 4d and Ge 4p states. On the other hand, substantial changes are observed in the spectral shape of the calculated conduction band with increasing U-eff since the density of Ce 4f state is very large in the unoccupied part, compared to other states. The estimated value of correlation energy for CeAg2Ge2 from the experiment and the theory is approximate to 4.2 eV. The resonant photoemission data are analyzed in the framework of the single-impurity Anderson model which further confirms the presence of the Coulomb correlation energy and small hybridization in this system. (literal)
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