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Band-to-band transitions and critical points in the near-infrared to vacuum ultraviolet dielectric functions of single crystal urania and thoria

https://doi.org/10.1063/1.5087059

Mock, Alyssa; Dugan, Christina; Knight, Sean; Korlacki, Rafał; Mann, J. Matthew; Kimani, Martin M.; Petrosky, James C.; Dowben, Peter A.; Schubert, Mathias (May 2019, Applied Physics Letters)

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Interband Transitions and Critical Points of Single‐Crystal Thoria Compared with Urania

https://doi.org/10.1002/pssb.202200238

Dugan, Christina; Wang, Lu; Zhang, Kai; Mann, James_Matthew; Kimani, Martin_M; Mei, Wai-Ning; Dowben, Peter_A; Petrosky, James (August 2022, physica status solidi (b))

The interband transitions of UO₂are 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 UO₂and ThO₂that 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.
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Infrared-active phonon modes in single-crystal thorium dioxide and uranium dioxide

https://doi.org/10.1063/1.5143724

Knight, Sean; Korlacki, Rafał; Dugan, Christina; Petrosky, James C.; Mock, Alyssa; Dowben, Peter A.; Matthew Mann, J.; Kimani, Martin M.; Schubert, Mathias (March 2020, Journal of Applied Physics)

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