Version 1
: Received: 27 January 2022 / Approved: 28 January 2022 / Online: 28 January 2022 (11:11:42 CET)
How to cite:
Dugan, C.; Wang, L.; Zhang, Z.; Mann, J.M.; Kimani, M.; Mei, W.; Dowben, P.A.; Petrosky, J. Interband Transitions And Critical Points Of Single Crystal Thoria Compared To Urania. Preprints2022, 2022010432. https://doi.org/10.20944/preprints202201.0432.v1
Dugan, C.; Wang, L.; Zhang, Z.; Mann, J.M.; Kimani, M.; Mei, W.; Dowben, P.A.; Petrosky, J. Interband Transitions And Critical Points Of Single Crystal Thoria Compared To Urania. Preprints 2022, 2022010432. https://doi.org/10.20944/preprints202201.0432.v1
Dugan, C.; Wang, L.; Zhang, Z.; Mann, J.M.; Kimani, M.; Mei, W.; Dowben, P.A.; Petrosky, J. Interband Transitions And Critical Points Of Single Crystal Thoria Compared To Urania. Preprints2022, 2022010432. https://doi.org/10.20944/preprints202201.0432.v1
APA Style
Dugan, C., Wang, L., Zhang, Z., Mann, J.M., Kimani, M., Mei, W., Dowben, P.A., & Petrosky, J. (2022). Interband Transitions And Critical Points Of Single Crystal Thoria Compared To Urania. Preprints. https://doi.org/10.20944/preprints202201.0432.v1
Chicago/Turabian Style
Dugan, C., Peter A. Dowben and James Petrosky. 2022 "Interband Transitions And Critical Points Of Single Crystal Thoria Compared To Urania" Preprints. https://doi.org/10.20944/preprints202201.0432.v1
Abstract
The interband transitions of urania (UO2) are validated independently through cathode luminescence of UO2. A picture emerges consistent with density functional theory. While theory is generally consistent with experiment, it is evident that the choice of functional can significantly alter the band gap 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 continues to be somewhat elusive.
Chemistry and Materials Science, Materials Science and Technology
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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