The peculiarities of the crystal and electronic structure of the zirconolite-type compounds Ln 2Ti 2O 7 (Ln = Rare earth elements)

Abstract

A new approach to the crystal structure description of the Ln 2Ti 2O 7 pyrochlore oxides has been suggested in this work. The method is based on atomic layers and chains. The XPS O 1s- and X-ray emission OKα 1,2-spectra acquisition and the Xα(SW)-calculations of the electron structure have been carried out for the oxides withRE = Eu, Gd, Tb and Dy. The charge transfer processes have been investigated.