Density-functional calculations for Ce, Th, and Pu metals and alloys

• Veröffentlicht in: Condensed Matter Physics
• Datum: 2004
• Hauptverfasser: Landa, A., Soderlind, P.
• Format: Artikel
• Sprache: English
• Veröffentlicht: Інститут фізики конденсованих систем НАН України 2004
• Online Zugang: https://nasplib.isofts.kiev.ua/handle/123456789/118955
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Zitieren: Density-functional calculations for Ce, Th, and Pu metals and alloys / A. Landa, P. Soderlind // Condensed Matter Physics. — 2004. — Т. 7, № 2(38). — С. 247–264. — Бібліогр.: 44 назв. — англ.

The phase diagrams of Ce, Th, and Pu metals have been studied by means of density-functional theory (DFT). In addition to these metals, the phase stability of Ce-Th and Pu-Am alloys has been also investigated from firstprinciples calculations. Equation-of-state (EOS) for Ce, Th, and the Ce-Th al...