Gespeichert in:
| Hauptverfasser: | , , |
|---|---|
| Format: | Preprint |
| Veröffentlicht: |
2025
|
| Schlagworte: | |
| Online-Zugang: | https://arxiv.org/abs/2507.10723 |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| _version_ | 1866911055610904576 |
|---|---|
| author | Vegelius, Johan Shuh, David K. Butorin, Sergei M. |
| author_facet | Vegelius, Johan Shuh, David K. Butorin, Sergei M. |
| contents | The $5f$ states were probed in ThO$_2$ and U(VI) and U(V) oxides using x-ray absorption spectroscopy at the actinide $O_{4,5}$ edges. Measured data were analyzed by several approaches including atomic, crystal-field theory and the Anderson impurity model to take into account the hybridization of actinide valence states with oxygen $2p$ states. For Th(IV), the $5f$ states are mainly affected by the crystal-field interaction with the closest neighbors as can be seen from the corresponding spectrum of ThO$_2$. In turn, for U(VI) and U(V) oxides, the U $5f$-O $2p$ hybridization and high degree of covalency in the chemical bonding play a decisive role increasing the $5f$ occupancy and consequently governing the ground and excited state properties. That is additionally illustrated by results from the calculations of the U $5d$ x-ray photoemission spectra for U(V) in the lattice of La-doped UO$_2$. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2507_10723 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Sensitivity of x-ray absorption at $5d$ edges of high-valent light actinides to crystal-field strength and covalency effects Vegelius, Johan Shuh, David K. Butorin, Sergei M. Strongly Correlated Electrons The $5f$ states were probed in ThO$_2$ and U(VI) and U(V) oxides using x-ray absorption spectroscopy at the actinide $O_{4,5}$ edges. Measured data were analyzed by several approaches including atomic, crystal-field theory and the Anderson impurity model to take into account the hybridization of actinide valence states with oxygen $2p$ states. For Th(IV), the $5f$ states are mainly affected by the crystal-field interaction with the closest neighbors as can be seen from the corresponding spectrum of ThO$_2$. In turn, for U(VI) and U(V) oxides, the U $5f$-O $2p$ hybridization and high degree of covalency in the chemical bonding play a decisive role increasing the $5f$ occupancy and consequently governing the ground and excited state properties. That is additionally illustrated by results from the calculations of the U $5d$ x-ray photoemission spectra for U(V) in the lattice of La-doped UO$_2$. |
| title | Sensitivity of x-ray absorption at $5d$ edges of high-valent light actinides to crystal-field strength and covalency effects |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2507.10723 |