Theoretical analysis of X-ray-absorption near-edge fine structure at the O and metal K edges of LaFeO₃ and LaCoO₃

Abstract

We present experimental x-ray-absorption spectra at the oxygen and 3d transition-metal K edges of LaFeO₃ and LaCoO₃. We interpret the experimental results in terms of detailed theoretical calculations based on multiple-scattering theory. Along with providing an understanding of the origin of various experimental features, we investigate the effects of structural distortions and the core-hole potential in determining the experimental spectral shape. The results indicate that the core-hole potential as well as many-body effects within the valence electrons do not have any strong effect on the spectra suggesting that the spectral features can be directly interpreted in terms of the electronic structure of such compounds.