TY - JOUR
T1 - Coulomb correlated band structure and Fermi surfaces of high Tc superconductors
AU - Yu, Jaejun
AU - Freeman, A. J.
N1 - Funding Information:
We thank S. Massidda, K. T. Park, N. Hamada, and D. D. Koelling for collaboration on the work reported here. Work supported by the National Science Foundation (through the Northwestern University Materials Research Center, Grant No. DMR88-21571) and by a grant of computer time at the National Center for Supercomputing Applications, University of Illinois at Urbana-Champaign and at the NASA Ames Supercomputing Center.
PY - 1991
Y1 - 1991
N2 - Predictions of local density functional (LDF) calculations of the electronic structure and transport properties of high Tc superconductors are reviewed. As evidenced by the excellent agreement with both photoemission and positron annihilation experiments, the Fermi liquid nature of the 'normal' state of the high Tc superconductors becomes clear for these oxides. The remaining anomalous features in the observed photoemission experiments are related to the effect of Coulomb correlations on the electronic structure, which is determined by empolying the many-body corrections to the known band structure. The results of the tight-binding fit to the Fermi surfaces (FS) in high Tc Cu-oxides indicate that the commonly used model Hamiltonian with only a nearest-neighbor hopping is not sufficient for the description of the Cu-O dpσ anti-bonding band crossing EF. Anisotropies of the FS are discussed in connection with the normal state transport properties, which are in qualitative agreement with experiment.
AB - Predictions of local density functional (LDF) calculations of the electronic structure and transport properties of high Tc superconductors are reviewed. As evidenced by the excellent agreement with both photoemission and positron annihilation experiments, the Fermi liquid nature of the 'normal' state of the high Tc superconductors becomes clear for these oxides. The remaining anomalous features in the observed photoemission experiments are related to the effect of Coulomb correlations on the electronic structure, which is determined by empolying the many-body corrections to the known band structure. The results of the tight-binding fit to the Fermi surfaces (FS) in high Tc Cu-oxides indicate that the commonly used model Hamiltonian with only a nearest-neighbor hopping is not sufficient for the description of the Cu-O dpσ anti-bonding band crossing EF. Anisotropies of the FS are discussed in connection with the normal state transport properties, which are in qualitative agreement with experiment.
KW - electronic structure
KW - fermi surfaces
KW - high temperature superconductors
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U2 - 10.1016/0022-3697(91)90110-L
DO - 10.1016/0022-3697(91)90110-L
M3 - Article
AN - SCOPUS:0026405027
VL - 52
SP - 1351
EP - 1362
JO - Journal of Physics and Chemistry of Solids
JF - Journal of Physics and Chemistry of Solids
SN - 0022-3697
IS - 11-12
ER -