| Autor: |
James T, Pegg, Ashley E, Shields, Mark T, Storr, Andrew S, Wills, David O, Scanlon, Nora H, de Leeuw |
| Rok vydání: |
2018 |
| Zdroj: |
Physical chemistry chemical physics : PCCP. 21(2) |
| ISSN: |
1463-9084 |
| Popis: |
The magnetic structure of the actinide dioxides (AnO2) remains a field of intense research. A low-temperature experimental investigation of the magnetic ground-state is complicated by thermal energy released from the radioactive decay of the actinide nuclei. To establish the magnetic ground-state, we have employed high-accuracy computational methods to systematically probe different magnetic structures. A transverse 1k antiferromagnetic ground-state with Fmmm (No. 69) crystal symmetry has been established for UO2, whereas a ferromagnetic (111) ground-state with R3[combining macron]m (No. 166) has been established for NpO2. Band structure calculations have been performed to analyse these results. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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