Calculated spectral properties of YBa2Cu3O7-δ thin films

The present paper reports the results of theoretical valence band structure investigations of high-temperature YBa2Cu3O7-δ thin films obtained by calculation of the X-ray emission (XES) and photoelectron (PES) spectra. The XES and PES spectra were obtained on the basis of energy band structure calculations which were realized in the framework of a local density functional approximation using the film linearized augmented plane wave method. The calculated spectra are compared with the experimental data. The main characteristic properties of the experimental spectra are interpreted on the basis of the performed computations. (orig.)