Document Type
Article
Publication Date
11-2022
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.
Source Publication
physica status solidi (b) – basic solid state physics
Recommended Citation
Dugan, C., Wang, L., Zhang, K., Mann, J. M., Kimani, M. M., Mei, W.-N., Dowben, P. A., & Petrosky, J. (2022). Interband transitions and critical points of single‐crystal thoria compared with urania. Physica Status Solidi (b), 259(11), 2200238. https://doi.org/10.1002/pssb.202200238
Comments
© 2022 The Authors.
physica status solidi (b) basic solid state physics is published by Wiley-VCH GmbH.
The in-press edition of the article was posted previously posted on this page. The article has since been included in a volume of PSS B, as cited below>
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