Electronic Structure and Nonmagnetic Character of Delta-Pu-Am Alloys

SHICK, A.B.; HAVELA, Ladislav; KOLORENC, J.; DRCHAL, V.; GOUDER, Thomas; OPPENEER, P.M.

doi:10.1103/PhysRevB.73.104415

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Electronic Structure and Nonmagnetic Character of Delta-Pu-Am Alloys

The around-mean-field LSDA+U correlated band theory is applied to investigate the electronic and magnetic structure of fcc-Pu-Am alloys. Despite a lattice expansion caused by the Am atoms, neither a tendency to 5f localization nor the formation of local magnetic moments on Pu atoms in Pu-Am alloys is found. The 5f manifolds in the alloys are calculated, being very similar to a simple weighted superposition of elemental Pu and Am 5f states.

SHICK A.B.; HAVELA Ladislav; KOLORENC J.; DRCHAL V.; GOUDER Thomas; OPPENEER P.M.;

2006-06-01

AMERICAN PHYSICAL SOC

JRC33605

https://publications.jrc.ec.europa.eu/repository/handle/JRC33605,

10.1103/PhysRevB.73.104415,

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