The occupied and unoccupied valence-band density of states of YBa2Cu3O7- is determined considering a coherent potential which includes the Coulomb intrasite d-d correlation. The p states tend to be all occupied and, as a consequence, the most localized d states with the XZ symmetry tend to be unoccupied giving rise to an upper Hubbard band. This picture is in good agreement with the direct and inverse photoemission spectroscopies. © 1989 The American Physical Society.
|Journal||Physical Review B|
|Publication status||Published - 1 Jan 1989|