Electronic structure and non-magnetic character of $\delta$-Pu-Am alloys

Alexander Shick (1); ASCR; Institute for Transuranium Elements; Jindrich Kolorenc (1); Joint Research Centre; Karlsruhe; 4. Uppsala University); Ladislav Havela (2); Peter M. Oppeneer (4)(1. Institute of Physics; Prague; 2. Charles University; Prague; 3. European Commission

arxiv: cond-mat/0603502 · v1 · submitted 2006-03-20 · ❄️ cond-mat.mtrl-sci · cond-mat.str-el

Electronic structure and non-magnetic character of δ-Pu-Am alloys

Alexander Shick (1) , Ladislav Havela (2) , Jindrich Kolorenc (1) , Vaclav Drchal (1) , Thomas Gouder (3) , Peter M. Oppeneer (4)(1. Institute of Physics , ASCR , Prague; 2. Charles University

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Prague; 3. European Commission Joint Research Centre Institute for Transuranium Elements Karlsruhe; 4. Uppsala University)

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classification ❄️ cond-mat.mtrl-sci cond-mat.str-el

keywords alloyspu-amatomselectronicmagneticstructureappliedaround-mean-field

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The {\em 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 tendency to 5$f$ localization nor formation of local magnetic moments on Pu atoms in Pu-Am alloys are found. The $5f$-manifolds in the alloys are calculated being very similar to a simple weighted superposition of elemental Pu and Am $5f$-states.

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Electronic structure and non-magnetic character of δ-Pu-Am alloys

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