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@ARTICLE{Perroni:59029,
      author       = {Perroni, C. A. and Ishida, H. and Liebsch, A.},
      title        = {{E}xact diagonalization dynamical mean-field theory for
                      multiband materials: {E}ffect of {C}oulomb correlations on
                      the {F}ermi surface of {N}a0.3{C}o{O}2},
      journal      = {Physical review / B},
      volume       = {75},
      number       = {4},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-59029},
      pages        = {045125},
      year         = {2007},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {Dynamical mean-field theory combined with
                      finite-temperature exact diagonalization is shown to be a
                      suitable method to study local Coulomb correlations in
                      realistic multiband materials. By making use of the
                      sparseness of the impurity Hamiltonian, exact eigenstates
                      can be evaluated for significantly larger clusters than in
                      schemes based on full diagonalization. Since finite-size
                      effects are greatly reduced this approach allows the study
                      of three-band systems down to very low temperatures, for
                      strong local Coulomb interactions and full Hund exchange. It
                      is also shown that exact diagonalization yields smooth
                      subband quasiparticle spectra and self-energies at real
                      frequencies. As a first application the correlation induced
                      charge transfer between t(2g) bands in Na0.3CoO2 is
                      investigated. For both Hund and Ising exchange the small
                      e(g)(') Fermi surface hole pockets are found to be slightly
                      enlarged compared to the noninteracting limit, in agreement
                      with previous quantum Monte Carlo dynamical mean-field
                      calculations for Ising exchange, but in conflict with
                      photoemission data.},
      keywords     = {J (WoSType)},
      cin          = {IFF-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB781},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK414},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000243895600042},
      doi          = {10.1103/PhysRevB.75.045125},
      url          = {https://juser.fz-juelich.de/record/59029},
}