0000000000529321
AUTHOR
Maurits W. Haverkort
2p x-ray absorption spectroscopy of 3d transition metal systems
Abstract This review provides an overview of the different methods and computer codes that are used to interpret 2p x-ray absorption spectra of 3d transition metal ions. We first introduce the basic parameters and give an overview of the methods used. We start with the semi-empirical multiplet codes and compare the different codes that are available. A special chapter is devoted to the user friendly interfaces that have been written on the basis of these codes. Next we discuss the first principle codes based on band structure, including a chapter on Density Functional theory based approaches. We also give an overview of the first-principle multiplet codes that start from a cluster calculati…
Different Look at the Spin State ofCo3+Ions in aCoO5Pyramidal Coordination
Using soft-x-ray absorption spectroscopy at the Co ${L}_{2,3}$ and O $K$ edges, we demonstrate that the ${\mathrm{Co}}^{3+}$ ions with the ${\mathrm{CoO}}_{5}$ pyramidal coordination in the layered ${\mathrm{Sr}}_{2}{\mathrm{CoO}}_{3}\mathrm{Cl}$ compound are unambiguously in the high spin state. Our result questions the reliability of the spin state assignments made so far for the recently synthesized layered cobalt perovskites and calls for a reexamination of the modeling for the complex and fascinating properties of these new materials.