Density-functional theory for plutonium
Abstract
We review here developments in the theoretical description and understanding of plutonium in terms of a metal with itinerant (band) 5f electrons. Within this picture most facets of this remarkable and anomalous material are accurately described by first-principle, parameter-free, density-functional-theory (DFT) calculations. We show that the model explains plutonium’s phase stability, elasticity, lattice vibrations, electronic structure, alloy properties, and magnetism. Fluctuations are addressed by means of constrained DFT calculations and new light is shed on the anomalous properties of δ plutonium, including explaining its negative thermal expansion. Effects of alloying and point defects in plutonium are also addressed. It is further emphasized that strong electron correlations, originating from a large intra-atomic Coulomb repulsion (~4 eV) of the 5f electrons, that has often been assumed for plutonium in the literature, is inconsistent with the experimental phase diagram of plutonium.
- Authors:
-
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Physics Dept.
- Publication Date:
- Research Org.:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE; LLNL Laboratory Directed Research and Development (LDRD) Program
- OSTI Identifier:
- 1512634
- Report Number(s):
- LLNL-JRNL-764803
Journal ID: ISSN 0001-8732; 954488
- Grant/Contract Number:
- AC52-07NA27344
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Advances in Physics
- Additional Journal Information:
- Journal Volume: 68; Journal Issue: 1; Journal ID: ISSN 0001-8732
- Publisher:
- Taylor & Francis
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 73 NUCLEAR PHYSICS AND RADIATION PHYSICS; plutonium; density-functional theory; phase stability; elasticity; electronic structure; magnetism; alloys; defects
Citation Formats
Söderlind, Per, Landa, A., and Sadigh, B. Density-functional theory for plutonium. United States: N. p., 2019.
Web. doi:10.1080/00018732.2019.1599554.
Söderlind, Per, Landa, A., & Sadigh, B. Density-functional theory for plutonium. United States. https://doi.org/10.1080/00018732.2019.1599554
Söderlind, Per, Landa, A., and Sadigh, B. Tue .
"Density-functional theory for plutonium". United States. https://doi.org/10.1080/00018732.2019.1599554. https://www.osti.gov/servlets/purl/1512634.
@article{osti_1512634,
title = {Density-functional theory for plutonium},
author = {Söderlind, Per and Landa, A. and Sadigh, B.},
abstractNote = {We review here developments in the theoretical description and understanding of plutonium in terms of a metal with itinerant (band) 5f electrons. Within this picture most facets of this remarkable and anomalous material are accurately described by first-principle, parameter-free, density-functional-theory (DFT) calculations. We show that the model explains plutonium’s phase stability, elasticity, lattice vibrations, electronic structure, alloy properties, and magnetism. Fluctuations are addressed by means of constrained DFT calculations and new light is shed on the anomalous properties of δ plutonium, including explaining its negative thermal expansion. Effects of alloying and point defects in plutonium are also addressed. It is further emphasized that strong electron correlations, originating from a large intra-atomic Coulomb repulsion (~4 eV) of the 5f electrons, that has often been assumed for plutonium in the literature, is inconsistent with the experimental phase diagram of plutonium.},
doi = {10.1080/00018732.2019.1599554},
journal = {Advances in Physics},
number = 1,
volume = 68,
place = {United States},
year = {2019},
month = {4}
}
Web of Science
Works referenced in this record:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Coherent-Potential Approximation for a Nonoverlapping-Muffin-Tin-Potential Model of Random Substitutional Alloys
journal, March 1972
- Gyorffy, B. L.
- Physical Review B, Vol. 5, Issue 6
Density-functional calculations of α-Pu–Ga(Al) alloys
journal, October 2007
- Landa, Alex; Söderlind, Per; Vitos, Levente
- Journal of Alloys and Compounds, Vol. 444-445
High-temperature phonon stabilization of -uranium from relativistic first-principles theory
journal, February 2012
- Söderlind, Per; Grabowski, B.; Yang, L.
- Physical Review B, Vol. 85, Issue 6
Entropy Driven Stabilization of Energetically Unstable Crystal Structures Explained from First Principles Theory
journal, March 2008
- Souvatzis, P.; Eriksson, O.; Katsnelson, M. I.
- Physical Review Letters, Vol. 100, Issue 9
Spin Fluctuations in Plutonium and Other Actinide Metals and Compounds
journal, June 1972
- Arko, A. J.; Brodsky, M. B.; Nellis, W. J.
- Physical Review B, Vol. 5, Issue 11
Spin susceptibility of Ga-stabilized probed by NMR
journal, May 2005
- Piskunov, Yu.; Mikhalev, K.; Gerashenko, A.
- Physical Review B, Vol. 71, Issue 17
Electron localization in the series of actinide metals. The cases of -Pu and Es
journal, July 1997
- Pénicaud, M.
- Journal of Physics: Condensed Matter, Vol. 9, Issue 30
Surface energy and work function of the light actinides
journal, April 1994
- Kollár, J.; Vitos, L.; Skriver, H. L.
- Physical Review B, Vol. 49, Issue 16
Simple model for localization in -Pu
journal, September 2003
- Söderlind, Per; Landa, Alex
- Modelling and Simulation in Materials Science and Engineering, Vol. 11, Issue 6
Electronic and phonon properties of six crystalline phases of Pu metal
journal, December 1998
- Wallace, Duane C.
- Physical Review B, Vol. 58, Issue 23
Orbital polarization in narrow-band systems: Application to volume collapses in light lanthanides
journal, April 1990
- Eriksson, Olle; Brooks, M. S. S.; Johansson, Börje
- Physical Review B, Vol. 41, Issue 10
The plutonium-americium system
journal, July 1966
- Ellinger, F. H.; Johnson, K. A.; Struebing, V. O.
- Journal of Nuclear Materials, Vol. 20, Issue 1
Monte Carlo simulations of the stability of -Pu
journal, June 2003
- Landa, Alex; S. derlind, Per; Ruban, Andrei
- Journal of Physics: Condensed Matter, Vol. 15, Issue 24
First-principles elastic and structural properties of uranium metal
journal, August 2002
- Söderlind, Per
- Physical Review B, Vol. 66, Issue 8
Calculated thermal properties of metals
journal, January 1988
- Moruzzi, V. L.; Janak, J. F.; Schwarz, K.
- Physical Review B, Vol. 37, Issue 2
High-pressure studies of americium metal: Insights into its position in the actinide series
journal, April 2001
- Lindbaum, A.; Heathman, S.; Litfin, K.
- Physical Review B, Vol. 63, Issue 21
Possibility of a δ-like surface for α-Pu: Theory
journal, November 1992
- Eriksson, Olle; Cox, L. E.; Cooper, B. R.
- Physical Review B, Vol. 46, Issue 20
Calculated Bulk Properties of the Actinide Metals
journal, July 1978
- Skriver, H. L.; Andersen, O. K.; Johansson, B.
- Physical Review Letters, Vol. 41, Issue 1
PuGa alloys: an X-ray absorption study
journal, June 1998
- Richard, N.; Faure, Ph.; Rofidal, P.
- Journal of Alloys and Compounds, Vol. 271-273
Vibrational properties of Ga-stabilized by extended x-ray absorption fine structure
journal, June 2002
- Allen, P. G.; Henderson, A. L.; Sylwester, E. R.
- Physical Review B, Vol. 65, Issue 21
Multiconfigurational nature of 5f orbitals in uranium and plutonium intermetallics
journal, June 2012
- Booth, C. H.; Jiang, Y.; Wang, D. L.
- Proceedings of the National Academy of Sciences, Vol. 109, Issue 26
On the valence fluctuation in the early actinide metals
journal, February 2016
- Söderlind, P.; Landa, A.; Tobin, J. G.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 207
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
First-principles phase stability, bonding, and electronic structure of actinide metals
journal, June 2014
- Söderlind, Per
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 194
Correlated electrons in δ-plutonium within a dynamical mean-field picture
journal, April 2001
- Savrasov, S. Y.; Kotliar, G.; Abrahams, E.
- Nature, Vol. 410, Issue 6830
A first-principles theory of ferromagnetic phase transitions in metals
journal, June 1985
- Gyorffy, B. L.; Pindor, A. J.; Staunton, J.
- Journal of Physics F: Metal Physics, Vol. 15, Issue 6
Density-functional investigation of magnetism in -Pu
journal, November 2002
- Söderlind, Per; Landa, Alex; Sadigh, Babak
- Physical Review B, Vol. 66, Issue 20
Phase stability and phase transformations in Pu–Ga alloys
journal, January 2004
- Hecker, S. S.; Harbur, D. R.; Zocco, T. G.
- Progress in Materials Science, Vol. 49, Issue 3-4
Gallium stabilization of : Density-functional calculations
journal, November 2005
- Sadigh, Babak; Wolfer, Wilhelm G.
- Physical Review B, Vol. 72, Issue 20
Possible interpretation of the photoelectron spectrum for americium metal
journal, January 1987
- Mrtensson, Nils; Johansson, Börje; Naegele, Jochen
- Physical Review B, Vol. 35, Issue 3
Elastic constants of cubic f -electron elements: Theory
journal, October 1993
- Söderlind, Per; Eriksson, Olle; Wills, J. M.
- Physical Review B, Vol. 48, Issue 13
Density-Functional Calculations of , , , , , and Plutonium
journal, May 2004
- Söderlind, Per; Sadigh, Babak
- Physical Review Letters, Vol. 92, Issue 18
Atomic-volume variations of α-Pu alloyed with Al, Ga, and Am from first-principles theory
journal, September 2007
- Söderlind, Per; Landa, Alex; Wolfer, Wilhelm G.
- Journal of Computer-Aided Materials Design, Vol. 14, Issue 3
Theory of the crystal structures of cerium and the light actinides
journal, November 1998
- Soderlind, Per
- Advances in Physics, Vol. 47, Issue 6
Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965
- Kohn, W.; Sham, L. J.
- Physical Review, Vol. 140, Issue 4A, p. A1133-A1138
Fluctuating valence in a correlated solid and the anomalous properties of δ-plutonium
journal, March 2007
- Shim, J. H.; Haule, K.; Kotliar, G.
- Nature, Vol. 446, Issue 7135
A First-Principles Study of Hydrogen Diffusivity and Dissociation on δ-Pu (100) and (111) Surfaces
journal, August 2017
- Goldman, Nir; Morales, Miguel A.
- The Journal of Physical Chemistry C, Vol. 121, Issue 33
Influence of Ga on H Reactivity with Ga-Stabilized δ-Pu Alloys
journal, August 2017
- Hernandez, Sarah C.; Richmond, Scott; Venhaus, Thomas J.
- The Journal of Physical Chemistry C, Vol. 121, Issue 35
Orbital polarization in the Kohn-Sham-Dirac theory
journal, November 2005
- Eschrig, H.; Sargolzaei, M.; Koepernik, K.
- Europhysics Letters (EPL), Vol. 72, Issue 4
Ground State Theory of
journal, April 2000
- Savrasov, S. Y.; Kotliar, G.
- Physical Review Letters, Vol. 84, Issue 16
The valence-fluctuating ground state of plutonium
journal, July 2015
- Janoschek, Marc; Das, Pinaki; Chakrabarti, Bismayan
- Science Advances, Vol. 1, Issue 6
Self-consistent linear-muffin-tin-orbitals coherent-potential technique for bulk and surface calculations: Cu-Ni, Ag-Pd, and Au-Pt random alloys
journal, June 1993
- Abrikosov, I. A.; Skriver, H. L.
- Physical Review B, Vol. 47, Issue 24
Theoretical study of the metamagnetism in
journal, November 1990
- Nordström, Lars; Johansson, Börje; Eriksson, Olle
- Physical Review B, Vol. 42, Issue 13
Atomic oxygen adsorption on 3.125 at.% Ga stabilized δ-Pu (1 1 1) surface
journal, September 2015
- Hernandez, Sarah C.; Venhaus, Thomas J.; Huda, Muhammad N.
- Journal of Alloys and Compounds, Vol. 643
Crystal structure from one-electron theory
journal, February 1985
- Skriver, Hans L.
- Physical Review B, Vol. 31, Issue 4
Magnetic properties of Pu–Ga alloys
journal, March 2009
- Arkhipov, V. E.; Kassan-Ogly, F. A.; Korolev, A. V.
- Journal of Nuclear Materials, Vol. 385, Issue 1
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008
- Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I.
- Physical Review Letters, Vol. 100, Issue 13
Ambient pressure phase diagram of plutonium: A unified theory for α-Pu and δ-Pu
journal, August 2001
- Söderlind, P.
- Europhysics Letters (EPL), Vol. 55, Issue 4
Magnetic peculiarities of plutonium and compounds
journal, December 2013
- Kassan-Ogly, F. A.; Korolev, A. V.; Ustinov, V. V.
- The Physics of Metals and Metallography, Vol. 114, Issue 13
Features of the magnetic state of ƒ electrons in the stabilized δ phase of the Pu0.95Ga0.05 alloy
journal, August 2005
- Verkhovskii, S. V.; Arkhipov, V. E.; Zuev, Yu. N.
- Journal of Experimental and Theoretical Physics Letters, Vol. 82, Issue 3
Theory of bulk and surface quasiparticle spectra for Fe, Co, and Ni
journal, July 2007
- Grechnev, Alexei; Di Marco, I.; Katsnelson, M. I.
- Physical Review B, Vol. 76, Issue 3
Electronic structure of α- and δ-Pu from photoelectron spectroscopy
journal, July 2000
- Arko, A. J.; Joyce, J. J.; Morales, L.
- Physical Review B, Vol. 62, Issue 3
Site-selective electronic correlation in α-plutonium metal
journal, October 2013
- Zhu, Jian-Xin; Albers, R. C.; Haule, K.
- Nature Communications, Vol. 4, Issue 1
Local structure and vibrational properties of martensite in Ga-stabilized δ-Pu
journal, June 2003
- Nelson, E. J.; Blobaum, K. J. M.; Wall, M. A.
- Physical Review B, Vol. 67, Issue 22
The plutonium-gallium system
journal, July 1964
- Ellinger, F. H.; Land, C. C.; Struebing, V. O.
- Journal of Nuclear Materials, Vol. 12, Issue 2
First-principles elastic constants and phonons of
journal, October 2004
- Söderlind, P.; Landa, A.; Sadigh, B.
- Physical Review B, Vol. 70, Issue 14
Emergent magnetic moments produced by self-damage in plutonium
journal, November 2006
- McCall, S. K.; Fluss, M. J.; Chung, B. W.
- Proceedings of the National Academy of Sciences, Vol. 103, Issue 46
Limits for ordered magnetism in Pu from muon spin rotation spectroscopy
journal, March 2006
- Heffner, R. H.; Morris, G. D.; Fluss, M. J.
- Physical Review B, Vol. 73, Issue 9
Lattice dynamics and elasticity for ε-plutonium
journal, April 2017
- Söderlind, Per
- Scientific Reports, Vol. 7, Issue 1
Quantifying the importance of orbital over spin correlations in within density-functional theory
journal, February 2008
- Söderlind, Per
- Physical Review B, Vol. 77, Issue 8
Calculated thermodynamic properties of plutonium metal
journal, November 2003
- Robert, G.; Pasturel, A.; Siberchicot, B.
- Journal of Physics: Condensed Matter, Vol. 15, Issue 49
Phase stability of plutonium
journal, December 1993
- van Ek, J.; Sterne, P. A.; Gonis, A.
- Physical Review B, Vol. 48, Issue 22
Delocalization and new phase in americium: Density-functional electronic structure calculations
journal, March 2000
- Söderlind, Per; Ahuja, R.; Eriksson, O.
- Physical Review B, Vol. 61, Issue 12
Phonon spectra of plutonium at high temperatures
journal, March 2017
- Dorado, Boris; Bottin, François; Bouchet, Johann
- Physical Review B, Vol. 95, Issue 10
Density functional theory study of defects in unalloyed δ-Pu
journal, June 2017
- Hernandez, S. C.; Freibert, F. J.; Wills, J. M.
- Scripta Materialia, Vol. 134
First-principles elastic properties of
journal, March 2009
- Söderlind, Per; Klepeis, John E.
- Physical Review B, Vol. 79, Issue 10
The electrical resistivity and thermal conducitvity of plutonium metal
journal, July 1958
- Sandenaw, Thomas A.; Gibney, Robert B.
- Journal of Physics and Chemistry of Solids, Vol. 6, Issue 1
Short-range atomic structure of 1 wt. % Ga δ-stabilized plutonium by x-ray-absorption fine-structure spectroscopy
journal, January 1995
- Cox, L. E.; Martinez, R.; Nickel, J. H.
- Physical Review B, Vol. 51, Issue 2
Lattice collapse around gallium in PuGa alloys as revealed by X-ray absorption spectroscopy
journal, November 1996
- Faure, Ph.; Deslandes, B.; Bazin, D.
- Journal of Alloys and Compounds, Vol. 244, Issue 1-2
Electronic properties of f -electron metals using the generalized gradient approximation
journal, September 1994
- Söderlind, P.; Eriksson, O.; Johansson, B.
- Physical Review B, Vol. 50, Issue 11
Theoretical confirmation of Ga-stabilized anti-ferromagnetism in plutonium metal
journal, May 2014
- Söderlind, Per; Landa, Alex
- Journal of Nuclear Materials, Vol. 448, Issue 1-3
Modeling the actinides with disordered local moments
journal, June 2003
- Niklasson, Anders M. N.; Wills, John M.; Katsnelson, Mikhail I.
- Physical Review B, Vol. 67, Issue 23
Correlated metals and the method
journal, April 2003
- Petukhov, A. G.; Mazin, I. I.; Chioncel, L.
- Physical Review B, Vol. 67, Issue 15
Resonant photoemission in f -electron systems: Pu and Gd
journal, October 2003
- Tobin, J. G.; Chung, B. W.; Schulze, R. K.
- Physical Review B, Vol. 68, Issue 15
Ground States of Constrained Systems: Application to Cerium Impurities
journal, December 1984
- Dederichs, P. H.; Blügel, S.; Zeller, R.
- Physical Review Letters, Vol. 53, Issue 26
A unified picture of the crystal structures of metals
journal, April 1995
- Söderlind, Per; Eriksson, Olle; Johansson, Börje
- Nature, Vol. 374, Issue 6522
Simple model for complex structures
journal, January 1998
- Söderlind, Per; Wills, J. M.; Eriksson, O.
- Physical Review B, Vol. 57, Issue 3
Reproducibility in density functional theory calculations of solids
journal, March 2016
- Lejaeghere, K.; Bihlmayer, G.; Bjorkman, T.
- Science, Vol. 351, Issue 6280
Magnetovolume Effects in Strongly Correlated Plutonium Phases
journal, August 2018
- Povzner, A. A.; Volkov, A. G.
- Technical Physics Letters, Vol. 44, Issue 8
Total-energy method based on the exact muffin-tin orbitals theory
journal, June 2001
- Vitos, L.
- Physical Review B, Vol. 64, Issue 1
Spin-polarized relativistic linear-muffin-tin-orbital method: Volume-dependent electronic structure and magnetic moment of plutonium
journal, June 1991
- Solovyev, I. V.; Liechtenstein, A. I.; Gubanov, V. A.
- Physical Review B, Vol. 43, Issue 18
Cancellation of spin and orbital magnetic moments in δ-Pu: Theory
journal, October 2007
- Söderlind, Per
- Journal of Alloys and Compounds, Vol. 444-445
Phonon and magnetic structure in δ-plutonium from density-functional theory
journal, October 2015
- Söderlind, Per; Zhou, F.; Landa, A.
- Scientific Reports, Vol. 5, Issue 1
A unified and efficient theory for the structural properties of actinides and phases of plutonium
journal, September 2018
- Amadon, Bernard; Dorado, Boris
- Journal of Physics: Condensed Matter, Vol. 30, Issue 40
Symmetry and Stability of Plutonium: The Influence of Electronic Structure
journal, May 2006
- Moore, K. T.; Söderlind, P.; Schwartz, A. J.
- Physical Review Letters, Vol. 96, Issue 20
Temperature dependence of the thermal conductivity in nearly magnetic metals: Application to plutonium
journal, April 1975
- Jullien, R.; Coqblin, B.
- Journal of Low Temperature Physics, Vol. 19, Issue 1-2
First-principles DFT+DMFT calculations of structural properties of actinides: Role of Hund's exchange, spin-orbit coupling, and crystal structure
journal, September 2016
- Amadon, Bernard
- Physical Review B, Vol. 94, Issue 11
An alternative model for electron correlation in Pu
journal, September 2008
- Yu, S. W.; Tobin, J. G.; Söderlind, P.
- Journal of Physics: Condensed Matter, Vol. 20, Issue 42
High-Temperature Behavior of the Resistivity in Nearly Magnetic Metals: Application to Plutonium
journal, May 1973
- Jullien, R.; Béal-Monod, M. T.; Coqblin, B.
- Physical Review Letters, Vol. 30, Issue 21
Thermal spin fluctuation effect on the elastic constants of paramagnetic Fe from first principles
journal, December 2015
- Dong, Zhihua; Li, Wei; Schönecker, Stephan
- Physical Review B, Vol. 92, Issue 22
Computational modeling of actinide materials and complexes
journal, November 2010
- Söderlind, Per; Kotliar, G.; Haule, K.
- MRS Bulletin, Vol. 35, Issue 11
Calculated Phase Diagram for the Transition in Ce
journal, March 1995
- Johansson, B.; Abrikosov, I. A.; Aldén, M.
- Physical Review Letters, Vol. 74, Issue 12
Magnetism or bonding: A nearly periodic table of transition elements
journal, March 1983
- Smith, J. L.; Kmetko, E. A.
- Journal of the Less Common Metals, Vol. 90, Issue 1
Density functional theory: Its origins, rise to prominence, and future
journal, August 2015
- Jones, R. O.
- Reviews of Modern Physics, Vol. 87, Issue 3
First-principles thermodynamic calculations for δ-Pu and ε-Pu
journal, May 2000
- Wang, Yi; Sun, Yunfeng
- Journal of Physics: Condensed Matter, Vol. 12, Issue 21
Elastic properties of the light actinides at high pressure
journal, May 2011
- Bouchet, J.; Albers, R. C.
- Journal of Physics: Condensed Matter, Vol. 23, Issue 21
Structural properties of plutonium from first-principles theory
journal, January 1997
- Söderlind, Per; Wills, J. M.; Johansson, B.
- Physical Review B, Vol. 55, Issue 4
Elastic properties of Pu metal and Pu-Ga alloys
journal, June 2010
- Söderlind, Per; Landa, Alex; Klepeis, J. E.
- Physical Review B, Vol. 81, Issue 22
Phonon Dispersions of fcc -Plutonium-Gallium by Inelastic X-ray Scattering
journal, August 2003
- Wong, J.
- Science, Vol. 301, Issue 5636
Physical mechanism of δ-δ′-ε phase stability in plutonium
journal, July 2017
- Li, Chun-Mei; Johansson, Börje; Vitos, Levente
- Scientific Reports, Vol. 7, Issue 1
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 49, Issue 20, p. 14251-14269
Pressure-induced changes in the electronic structure of americium metal
journal, August 2011
- Söderlind, Per; Moore, K. T.; Landa, A.
- Physical Review B, Vol. 84, Issue 7
The magic of plutonium: 5f electrons and phase instability
journal, August 2004
- Hecker, S. S.
- Metallurgical and Materials Transactions A, Vol. 35, Issue 8
Prediction of the phase stability and elastic property of ϵ-Pu at high temperature from theoretical study
journal, November 2018
- Li, Chun-Mei; Hu, Yan-Fei
- AIP Advances, Vol. 8, Issue 11
Inhomogeneous Electron Gas
journal, November 1964
- Hohenberg, P.; Kohn, W.
- Physical Review, Vol. 136, Issue 3B, p. B864-B871
Localization of 5f electrons in δ-plutonium: Evidence for the Kondo effect
journal, January 1996
- Méot-Reymond, S.; Fournier, J. M.
- Journal of Alloys and Compounds, Vol. 232, Issue 1-2
Calculated Phonon Spectra of Plutonium at High Temperatures
journal, May 2003
- Dai, X.
- Science, Vol. 300, Issue 5621
Special quasirandom structures
journal, July 1990
- Zunger, Alex; Wei, S.-H.; Ferreira, L. G.
- Physical Review Letters, Vol. 65, Issue 3, p. 353-356
Origin of the multiple configurations that drive the response of δ-plutonium’s elastic moduli to temperature
journal, September 2016
- Migliori, Albert; Söderlind, Per; Landa, Alexander
- Proceedings of the National Academy of Sciences, Vol. 113, Issue 40
Calculated equilibrium properties, electronic structures and structural stabilities of Th, Pa, U, Np and Pu
journal, June 2000
- Pénicaud, M.
- Journal of Physics: Condensed Matter, Vol. 12, Issue 27
Photoemission study of the electronic structure of Am, AmN, AmSb, and films
journal, September 2005
- Gouder, T.; Oppeneer, P. M.; Huber, F.
- Physical Review B, Vol. 72, Issue 11
On the electronic configuration in Pu: spectroscopy and theory
journal, February 2008
- Tobin, J. G.; Söderlind, P.; Landa, A.
- Journal of Physics: Condensed Matter, Vol. 20, Issue 12
Assessing a solids-biased density-gradient functional for actinide metals
journal, July 2010
- Söderlind, Per; Gonis, A.
- Physical Review B, Vol. 82, Issue 3
Novel electronic configuration in ∂−Pu
journal, June 1999
- Eriksson, Olle; Becker, J. D.; Balatsky, A. V.
- Journal of Alloys and Compounds, Vol. 287, Issue 1-2
Spin-orbit coupling in the actinide elements: A critical evaluation of theoretical equilibrium volumes
journal, December 2000
- Nordström, L.; Wills, J. M.; Andersson, P. H.
- Physical Review B, Vol. 63, Issue 3
Itinerant metamagnetism in YCO 2
journal, July 1984
- Schwarz, K.; Mohn, P.
- Journal of Physics F: Metal Physics, Vol. 14, Issue 7
Vacancy formation in δ-plutonium: A density-functional study in the generalized gradient approximation
journal, August 2005
- Robert, G.; Pasturel, A.; Siberchicot, B.
- Europhysics Letters (EPL), Vol. 71, Issue 3
Stability of δ-Pu alloys from first-principles theory
journal, May 2003
- Landa, Alex; Söderlind, Per
- Journal of Alloys and Compounds, Vol. 354, Issue 1-2
First-principles calculations of stability of δ-Pu–Am alloys
journal, August 2004
- Landa, Alex; Söderlind, Per
- Journal of Alloys and Compounds, Vol. 376, Issue 1-2
Inhomogeneous Electron Gas
journal, March 1973
- Rajagopal, A. K.; Callaway, J.
- Physical Review B, Vol. 7, Issue 5
Phase Stability and Phase Transformations in Pu—Ga Alloys
journal, October 2004
- Hecker, S. S.; Harbur, D. R.; Zocco, T. G.
- ChemInform, Vol. 35, Issue 42
Theoretical confirmation of Ga-stabilized anti-ferromagnetism in plutonium metal
journal, January 2014
- Söderlind, Per; Landa, Alex
- MRS Proceedings, Vol. 1683
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The specific heat and magnetic properties of two species of spin-1/2 ladders with butterfly-shaped unit blocks
journal, August 2019
- Zad, Hamid Arian; Ananikian, Nerses; Kenna, Ralph
- Journal of Physics: Condensed Matter, Vol. 31, Issue 44