The Electronic Correlation Strength of Pu
ORAL
Abstract
Many materials have strong electron-electron correlation effects that can cause large deviations in electronic structure and materials properties from those predicted by conventional band-structure theory based on the local density approximation. We present a new method or scale to quantify electronic correlations in strongly correlated electron systems and apply it to the different phases of elemental Pu. Using the GW approximation, we show that the f-electron band-width reduction due to correlation effects scales as a function of the initial LDA bandwidth. This relationship is a universal relationship in that it is independent of crystal structure and atomic volume.
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Authors
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R.C. Albers
Los Alamos National Laboratory
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Jian-Xin Zhu
Theoretical Division, Los Alamos National Laboratory, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA, Los Alamos National Laboratory, Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545
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A. Svane
Aarhus University, Denmark, Aarhus University
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N.E. Christensen
Aarhus University, Denmark, Aarhus University
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Mark van Schilfgaarde
Arizona State University