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Localized and Itinerant States in Pu Materials

Published online by Cambridge University Press:  26 February 2011

John Joyce ,
J.M. Wills ,
T. Durakiewicz ,
M.T. Butterfield ,
E. Guziewicz ,
K.S. Graham ,
J.L. Sarrao ,
A.J. Arko ,
E.D. Bauer  and
D.P. Moore
...Show all authors
John Joyce
Affiliation:
jjoyce@lanl.gov, Los Alamos National Lab, mailstop K764, Los Alamos, NM, 87545, United States
J.M. Wills
Affiliation:
jxw@lanl.gov, Theoretical Division, LANL, United States
T. Durakiewicz
Affiliation:
tomasz@lanl.gov, United States
M.T. Butterfield
Affiliation:
Butterfield6@llnl.gov, Lawrence Livermore National Laboratory, Chemistry & Materials Science, United States
E. Guziewicz
Affiliation:
ela@lanl.gov, Polish Academy of Sciences, Poland
K.S. Graham
Affiliation:
kgraham@lanl.gov, United States
J.L. Sarrao
Affiliation:
sarrao@lanl.gov, United States
A.J. Arko
Affiliation:
ajarko@comcast.net, United States
E.D. Bauer
Affiliation:
bauer@lanl.gov, United States
D.P. Moore
Affiliation:
dmoore@lanl.gov, Nuclear Materials Technology Division, LANL
L.A. Morales
Affiliation:
lmorales@lanl.gov, United States
O. Eriksson
Affiliation:
Olle.Eriksson@fysik.uu.se, Uppsala University, Department of Physics, Sweden
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Abstract

The electronic structure of Pu materials is examined using photoelectron spectroscopy. For delta-phase Pu metal as well as PuCoGa5 and PuIn3, the 5f electrons appear to be at the threshold between localized and itinerant character. A mixed level model computational scheme is used which results in non-magnetic solutions for the electronic structure and agrees well with the photoemission measurements. Several other computational schemes are assessed against photoemission results for delta Pu. Additional insight is provided by O2 and H2 dosing of the delta Pu samples and consideration of surface effects. The experimental and computational results are consistent with the 5f electrons in Pu materials exhibiting a dual nature with some fraction of the 5f levels localized and not participating in the bonding while the other fraction of 5f character is involved in bonding and hybridization with the conduction electrons.

Keywords

photoemissionactinideelectronic structure
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 893: Symposium JJ – Actinides 2005 – Basic Science, Applications and Technology , 2005 , 0893-JJ03-01
Copyright
Copyright © Materials Research Society 2006

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References

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