Document Type

Article

Publication Date

8-10-2022

Abstract

The interband transitions of UO2 are validated independently through cathode luminescence. A picture emerges consistent with density functional theory. While theory is generally consistent with experiment, it is evident from the comparison of UO2 and ThO2 that the choice of functional can significantly alter the bandgap and some details of the band structure, in particular at the conduction band minimum. Strictly ab initio predictions of the optical properties of the actinide compounds, based on density functional theory alone, continue to be somewhat elusive.

Comments

© 2022 The Authors.
physica status solidi (b) basic solid state physics published by Wiley-VCH GmbH.

Published online ahead of issue.

This is an open access article under the terms of the Creative Commons Attribution License (CC BY 4.0), which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

DOI

10.1002/pssb.202200238

Source Publication

physica status solidi (b) – basic solid state physics

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