Quantitative analysis of the X-ray photoelectron spectra of zirconium and zirconium oxide

A procedure for evaluation of XPS spectra is presented that allows the determination of intrinsic and extrinsic contributions to the spectra. It is based on convolution of physically realistic functions for the X-ray energy distribution, the core-level main peak, the cross sections for intrinsic and extrinsic excitations and instrumental broadening. Surface effects have been accounted for by describing the material as a bulk substrate covered with a surface layer of the same material but with different excitation properties. The procedure has been applied to angle resolved Zr 3d spectra of pure zirconium and pure zirconium oxide. The results show that in the case of Zr about 28% and in the case of ZrO2 about 21% of the total intrinsic intensity of the Zr 3d spectrum is not contained in the main peak.