First-principles electronic and elastic properties of plutonium metal

Soderlind, P; Landa, A; Klepeis, J E

doi:10.1088/1757-899X/9/1/012083

Title: First-principles electronic and elastic properties of plutonium metal

Conference · Fri Jul 10 00:00:00 EDT 2009

DOI:https://doi.org/10.1088/1757-899X/9/1/012083· OSTI ID:1113380

Soderlind, P; Landa, A; Klepeis, J E

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Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: W-7405-ENG-48

OSTI ID:: 1113380

Report Number(s):: LLNL-PROC-414660

Resource Relation:: Journal Volume: 9; Conference: Presented at: First-principles electronic and elastic properties of plutonium metal, San Francisco, CA, United States, Jul 12 - Jul 17, 2009

Country of Publication:: United States

Language:: English

References (22)

Ambient pressure phase diagram of plutonium: A unified theory for α-Pu and δ-Pu Söderlind, P. Europhysics Letters (EPL), Vol. 55, Issue 4 https://doi.org/10.1209/epl/i2001-00447-3	journal	August 2001
Density-Functional Calculations of $α$ , $β$ , $γ$ , $δ$ , $δ^{'}$ , and $ϵ$ Plutonium Söderlind, Per; Sadigh, Babak Physical Review Letters, Vol. 92, Issue 18 https://doi.org/10.1103/PhysRevLett.92.185702	journal	May 2004
Calculated thermodynamic properties of plutonium metal Robert, G.; Pasturel, A.; Siberchicot, B. Journal of Physics: Condensed Matter, Vol. 15, Issue 49 https://doi.org/10.1088/0953-8984/15/49/015	journal	November 2003
Vacancy formation in δ-plutonium: A density-functional study in the generalized gradient approximation Robert, G.; Pasturel, A.; Siberchicot, B. Europhysics Letters (EPL), Vol. 71, Issue 3 https://doi.org/10.1209/epl/i2005-10094-2	journal	August 2005
Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions Georges, Antoine; Kotliar, Gabriel; Krauth, Werner Reviews of Modern Physics, Vol. 68, Issue 1 https://doi.org/10.1103/RevModPhys.68.13	journal	January 1996
Emergence of Strong Exchange Interaction in the Actinide Series: The Driving Force for Magnetic Stabilization of Curium Moore, K. T.; van der Laan, G.; Haire, R. G. Physical Review Letters, Vol. 98, Issue 23 https://doi.org/10.1103/PhysRevLett.98.236402	journal	June 2007
On the electronic configuration in Pu: spectroscopy and theory Tobin, J. G.; Söderlind, P.; Landa, A. Journal of Physics: Condensed Matter, Vol. 20, Issue 12 https://doi.org/10.1088/0953-8984/20/12/125204	journal	February 2008
An alternative model for electron correlation in Pu Yu, S. W.; Tobin, J. G.; Söderlind, P. Journal of Physics: Condensed Matter, Vol. 20, Issue 42 https://doi.org/10.1088/0953-8984/20/42/422202	journal	September 2008
Nature of the $5 f$ states in actinide metals Moore, Kevin T.; van der Laan, Gerrit Reviews of Modern Physics, Vol. 81, Issue 1 https://doi.org/10.1103/RevModPhys.81.235	journal	February 2009
First-principles elastic properties of $α -Pu$ Söderlind, Per; Klepeis, John E. Physical Review B, Vol. 79, Issue 10 https://doi.org/10.1103/PhysRevB.79.104110	journal	March 2009
Spin-orbit coupling in the actinide elements: A critical evaluation of theoretical equilibrium volumes Nordström, L.; Wills, J. M.; Andersson, P. H. Physical Review B, Vol. 63, Issue 3 https://doi.org/10.1103/PhysRevB.63.035103	journal	December 2000
Geometry and electronic structure of $α$ -Pu: A theoretical study Sadigh, Babak; Söderlind, Per; Wolfer, Wilhelm G. Physical Review B, Vol. 68, Issue 24 https://doi.org/10.1103/PhysRevB.68.241101	journal	December 2003
Meta-magnetism in UCoAl Eriksson, O.; Johansson, B.; Brooks, M. S. S. Journal of Physics: Condensed Matter, Vol. 1, Issue 25 https://doi.org/10.1088/0953-8984/1/25/012	journal	June 1989
Cancellation of spin and orbital magnetic moments in δ-Pu: Theory Söderlind, Per Journal of Alloys and Compounds, Vol. 444-445 https://doi.org/10.1016/j.jallcom.2006.10.084	journal	October 2007
Trends of the elastic constants of cubic transition metals Wills, J. M.; Eriksson, Olle; Söderlind, Per Physical Review Letters, Vol. 68, Issue 18 https://doi.org/10.1103/PhysRevLett.68.2802	journal	May 1992
First-principles elastic and structural properties of uranium metal Söderlind, Per Physical Review B, Vol. 66, Issue 8 https://doi.org/10.1103/PhysRevB.66.085113	journal	August 2002
Evaluation of first-principles techniques for obtaining materials parameters of $α$ -uranium and the (001) $α$ -uranium surface Taylor, Christopher D. Physical Review B, Vol. 77, Issue 9 https://doi.org/10.1103/PhysRevB.77.094119	journal	March 2008
Lattice dynamics of $α$ uranium Bouchet, J. Physical Review B, Vol. 77, Issue 2 https://doi.org/10.1103/PhysRevB.77.024113	journal	January 2008
First-principles elastic constants and phonons of $δ ‐ Pu$ Söderlind, P.; Landa, A.; Sadigh, B. Physical Review B, Vol. 70, Issue 14 https://doi.org/10.1103/PhysRevB.70.144103	journal	October 2004
Phonon Dispersions of fcc -Plutonium-Gallium by Inelastic X-ray Scattering Wong, J. Science, Vol. 301, Issue 5636 https://doi.org/10.1126/science.1087179	journal	August 2003
Density-functional investigation of magnetism in $δ$ -Pu Söderlind, Per; Landa, Alex; Sadigh, Babak Physical Review B, Vol. 66, Issue 20 https://doi.org/10.1103/PhysRevB.66.205109	journal	November 2002
Temperature and time-dependence of the elastic moduli of Pu and Pu–Ga alloys Migliori, Albert; Mihut, I.; Betts, J. B. Journal of Alloys and Compounds, Vol. 444-445 https://doi.org/10.1016/j.jallcom.2006.11.157	journal	October 2007

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