Concepedia

First-principles LDA+U calculations investigating the lattice contraction of face-centered cubic Pu hydrides

Bingyun Ao, X.L. Wang, Pengjun Shi, P.H. Chen, Xiao-Zhao Ye, Xinchun Lai, Tao Gao

Journal of Nuclear Materials · 2012 · 32 citations · 28 references

DOI

Concepts

References

28

First principles methods using CASTEP

Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text

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Yttrium and lanthanum hydride films with switchable optical properties

J. N. Huiberts, R. Griessen, J. H. Rector et al. · Nature · 1996 · 940 citations

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Fluctuating valence in a correlated solid and the anomalous properties of δ-plutonium

Junsup Shim, Kristjan Haule, Gabriel Kotliar · Nature · 2007 · 287 citations · Full text

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Reaction of Plutonium Dioxide with Water: Formation and Properties of PuO <sub>2+</sub> <sub> <i>x</i> </sub>

J.M. Haschke, Thomas H. Allen, Luis A. Morales · Science · 2000 · 278 citations

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Structural, thermodynamic, and electronic properties of plutonium oxides from first principles

Gérald Jomard, Bernard Amadon, François Bottin et al. · Physical Review B · 2008 · 252 citations

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