Scattering theoretical study of electronic states of bulk terminated YBa2Cu3O7() CuO surface

A theoretical investigation on the electronic structure of YBa2Cu3O7(001) surface is presented. The bulk electronic structure of YBa2Cu3O7 was described by the third-neighbor tight-binding formalism and the surface electronic structure was evaluated via an analytic scattering theoretical method. The layer density of states and the surface projected band structure of the ideal CuO terminated surface are calculated. In addition, the localized surface features and orbital properties along the surface Brillouin zone G-Y-S-X-G are discussed. The results are compared with the angle-resolved photoelectron spectroscopy studies. 20 refs.