Article ID Journal Published Year Pages File Type
7839449 Journal of Electron Spectroscopy and Related Phenomena 2018 30 Pages PDF
Abstract
We use crystal field multiplet calculations to model the excitonic RIXS-MCD spectral shape in tetragonal (D4h) symmetry. The RIXS-MCD is strongly sensitive to the ground state distortion of the Cr4+ sites. The calculations of the RIXS-MCD maps suggest that the 3d spin-orbit interaction is fully quenched (ζ3d = 0 meV) and the ground state electron configuration must contain a 3B2g (D4h) contribution, which is required to explain the appearance of the Magnetic Circular Dichroism (MCD) in the Cr K pre-edge. This is in apparent contrast with the compressed tetragonal distortion.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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