Comprehensive study on the electronic and optical properties of α-U3O8

Structural and Optical Properties of Phase-Pure UO2, α-U3O8, and α-UO3 Epitaxial Thin Films Grown by Pulsed Laser Deposition

“…They attributed these two absorption edges to α-UO 3 and α-U 3 O 8 in the film, respectively . The band gap of the epitaxial α-U 3 O 8 film grown by PLD is consistent with the α-U 3 O 8 grown by sputtering and the diluted α-U 3 O 8 powder in solution . For the epitaxial α-UO 3 thin film grown by PLD, the experimental results are shown in Figure d–f.…”

“…62 Figure 6e shows the linear extrapolation of the (αhν) 16 The band gap of the epitaxial α-U 3 O 8 film grown by PLD is consistent with the α-U 3 O 8 grown by sputtering and the diluted α-U 3 O 8 powder in solution. 63 For the epitaxial α-UO 3 thin film grown by PLD, the experimental results are shown in Figure 6d−f. A careful analysis indicates that an indirect band gap method (Figure 6e) gives a better linear extrapolation in a large photon energy range, where an indirect band gap of 2.26 eV is estimated for our epitaxial α-UO 3 thin film grown by PLD.…”

Charge localization, frustration relief, and spin-orbit coupling in U$_3$O$_8$

“…We consider, thus, the isotropic averages (i.e., one third of the trace of the tensors), which can be directly compared with data from a polycrystalline sample (see the Supplemental Material for more details). We focus on the report of He and co-workers [7], as it is more detailed than other studies [10,11]. We assert that our results explain the reasons for the specific structural features observed in the absorption spectrum.…”

“…Only during the past decade have experimental researchers started studying pointedly the electronic structure and the magnetic properties of U 3 O 8 . There are now several reports of measurements of its band gap using optical spectroscopy techniques [7,10,11]. From the theoretical point of view, various studies using first-principles methods were published [11][12][13][14] before the two already mentioned recent papers on this subject [3,4].…”

“…There are now several reports of measurements of its band gap using optical spectroscopy techniques [7,10,11]. From the theoretical point of view, various studies using first-principles methods were published [11][12][13][14] before the two already mentioned recent papers on this subject [3,4].…”