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Many-body Electronic Structure of Metallic alpha-Uranium
We present results for the electronic structure of alpha uranium using a
recently developed quasiparticle self-consistent GW method (QSGW). This is the
first time that the f-orbital electron-electron interactions in an actinide has
been treated by a first-principles method beyond the level of the generalized
gradient approximation (GGA) to the local density approximation (LDA). We show
that the QSGW approximation predicts an f-level shift upwards of about 0.5 eV
with respect to the other metallic s-d states and that there is a significant
f-band narrowing when compared to LDA band-structure results. Nonetheless,
because of the overall low f-electron occupation number in uranium,
ground-state properties and the occupied band structure around the Fermi energy
is not significantly affected. The correlations predominate in the unoccupied
part of the f states. This provides the first formal justification for the
success of LDA and GGA calculations in describing the ground-state properties
of this material.Comment: 4 pages, 3 fihgure
X-ray based virtual histology allows guided sectioning of heavy ion stained murine lungs for histological analysis
The Electronic Correlation Strength of Pu
An electronic quantity, the correlation strength, is defined as a necessary
step for understanding the properties and trends in strongly correlated
electronic materials. As a test case, this is applied to the different phases
of elemental Pu. Within the GW approximation we have surprisingly found a
"universal" scaling relationship, where the f-electron bandwidth reduction due
to correlation effects is shown to depend only on the local density
approximation bandwidth and is otherwise independent of crystal structure and
lattice constant.Comment: 7 pages, 4 figures, This version of the paper has been revised to add
additional background informatio
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