The 2p absorption spectra of 3d transition metal compounds in tetrahedral and octahedral symmetry
Year: 1992
Type: article
Abstract: The authors present the 2p (L 2,3 ) absorption spectra of first-row transition metal ions in tetrahedral and octahedral crystal field symmetry. These have been calculated using a localized description for the 3d n to 2p 5 3d n+1 excitation including electrostatic and spin-orbit interactions. The spectra are significantly different from those already presented where the 3d spin-orbit interaction was neglected. The spectral shape provides a valence- and symmetry-selective probe. Whereas it changes gradually with the crystal field, abrupt changes in the spectra are indicative of high-spin to low-spin transitions. These spin transitions are accompanied by a strong decrease in the 2p branching ratio. The calculated spectra provide a basis for the use of L 2,3 absorption spectroscopy in materials science and biological science. The limitations of these calculations and the use of configuration interaction are discussed.
Authors: G van der Laan, I W Kirkman
Institution: Daresbury Laboratory
Language: English
Subfield: Radiation
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W2022554164