Application of multi-edge HERFD-XAS to assess the uranium valence electronic structure in potassium uranate (KUO3)

Application of multi-edge HERFD-XAS to assess the uranium valence electronic structure in potassium uranate (KUO3)

The uranium valence electronic structure in the prototypical undistorted perovskite KUO3 is reported on the basis of a comprehensive experimental study using multi-edge HERFD-XAS and relativistic quantum chemistry calculations based on density functional theory. Very good agreement is obtained betwe...

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Bibliographic Details
Main Authors: René Bes, Gregory Leinders, Kristina Kvashnina
Format: Article
Language:English
Published: International Union of Crystallography 2022-01-01
Series:Journal of Synchrotron Radiation
Subjects:
x-ray absorption spectroscopy
herfd-xanes
uranium
electronic structure
fdmnes
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600577521012431

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http://scripts.iucr.org/cgi-bin/paper?S1600577521012431

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