Theoretical confirmation of Ga-stabilized anti-ferromagnetism in plutonium metal

Density functional theory (DFT) for plutonium metal is shown to be consistent with recent magnetic measurements that suggest anti-ferromagnetism in Pu–Ga alloys at low temperatures. The theoretical model predicts a stabilization of the face-centered-cubic (fcc, δ) form of plutonium in an anti-ferrom...

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Bibliographic Details
Published in:Journal of nuclear materials 2014-05, Vol.448 (1-3), p.310-314
Main Authors: Söderlind, Per, Landa, Alex
Format: Article
Language:English
Subjects:
Alloy development
Alloys
Applied sciences
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Density functional theory
Energy
Exact sciences and technology
Fuels
Gallium base alloys
Mathematical models
Nuclear engineering
Nuclear fuels
Plutonium
Preparation and processing of nuclear fuels
Stabilization
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Summary:Density functional theory (DFT) for plutonium metal is shown to be consistent with recent magnetic measurements that suggest anti-ferromagnetism in Pu–Ga alloys at low temperatures. The theoretical model predicts a stabilization of the face-centered-cubic (fcc, δ) form of plutonium in an anti-ferromagnetic configuration when alloyed with gallium. The ordered magnetic phase occurs because Ga removes the mechanical instability that exists for unalloyed δ-Pu. The cause of the Ga-induced stabilization is a combination of a lowering of the band (kinetic) and electrostatic (Coulomb) energies for the cubic relative to the tetragonal phase. Similarly, gallium plays an important role in stabilizing anti-ferromagnetism in the tetragonal P4/mmm Pu3Ga compound.
ISSN:0022-3115
1873-4820
DOI:10.1016/j.jnucmat.2014.02.017