Pressure-Driven 5$f$ Localized-Itinerant Transition and Valence Fluctuation in Californium
| Autor: | Huang, Li, Lu, Haiyan |
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| Rok vydání: | 2018 |
| Předmět: | |
| Zdroj: | Phys. Rev. B 99, 045109 (2019) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevB.99.045109 |
| Popis: | A combination of the density functional theory and the single-site dynamical mean-field theory is employed to study the pressure dependence of electronic structure for cubic phase californium. We predict that its 5$f$ electrons could undergo an orbital-selective localized-itinerant transition under moderate pressure. The volume contraction causes remarkable charge redistribution and valence fluctuation behaviors, which are the driving forces of the divalent-trivalent transition. Additionally, we find that the angular momentum coupling mechanism is hardly affected by pressure. The 5$f$ orbital occupancy is well described by the intermediate coupling scheme. Comment: 5 pages, 4 figures |
| Databáze: | arXiv |
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