Search

The present paper reports the results of theoretical valence band structure investigations of high-temperature YBa 2 Cu 3 O 7-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.

The energy spectrum of YBa2Cu3O7 thin films is investigated by the film linearized augmented plane wave method (LAPW). On the basis of the results of the energy band structure calculation, theoretical calculations of X-ray emission spectra are performed. The calculated spectra are compared with the results of other calculations and experimental researches. The reason of the observed systematic discrepancies in the fine structure is analysed. The obtained spectra confirm the resonance character of the interaction of copper d-states with the nearest oxygen p-states. [Russian Text Ignored]