Hidden magnetic order in plutonium dioxide nuclear fuel

doi:10.1039/C8CP03583K

Title: Hidden magnetic order in plutonium dioxide nuclear fuel

The magnetic structure of PuO ₂ has been investigated by computational methods. A hereto unknown longitudinal 3k AFM ground-state that retains Fm3̄ m crystal symmetry has been identified.

Authors:

; ; Storr, Mark T. ^[3] ; Wills, Andrew S. ^[4] ; ;

Univ. College London, London (United Kingdom); Atomic Weapons Establishment (AWE) Plc, Aldermaston (United Kingdom)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Atomic Weapons Establishment (AWE) Plc, Aldermaston (United Kingdom)
Univ. College London, London (United Kingdom)
Univ. College London, London (United Kingdom); Diamond Light Source Ltd., Didcot (United Kingdom)
Univ. College London, London (United Kingdom); Cardiff Univ., Cardiff (United Kingdom)

Publication Date:: 2018-07-26

Grant/Contract Number:: AC05-00OR22725

Type:: Accepted Manuscript

Journal Name:: Physical Chemistry Chemical Physics. PCCP (Print)

Additional Journal Information:: Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal Volume: 20; Journal Issue: 32; Journal ID: ISSN 1463-9076

Publisher:: Royal Society of Chemistry

Research Org:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org:: USDOE National Nuclear Security Administration (NNSA)

Country of Publication:: United States

Language:: English

Subject:: 11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

OSTI Identifier:: 1465057


                    Pegg, James T., Shields, Ashley E., Storr, Mark T., Wills, Andrew S., Scanlon, David O., and de Leeuw, Nora H.. Hidden magnetic order in plutonium dioxide nuclear fuel.  United States: N. p.,  
        Web.  doi:10.1039/C8CP03583K.

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                    Pegg, James T., Shields, Ashley E., Storr, Mark T., Wills, Andrew S., Scanlon, David O., & de Leeuw, Nora H.. Hidden magnetic order in plutonium dioxide nuclear fuel.  United States.  doi:10.1039/C8CP03583K.

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                    Pegg, James T., Shields, Ashley E., Storr, Mark T., Wills, Andrew S., Scanlon, David O., and de Leeuw, Nora H.. 2018.  
        "Hidden magnetic order in plutonium dioxide nuclear fuel".  United States.  
        doi:10.1039/C8CP03583K.  https://www.osti.gov/servlets/purl/1465057.

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@article{osti_1465057,

  title        = {Hidden magnetic order in plutonium dioxide nuclear fuel},

  author       = {Pegg, James T. and Shields, Ashley E. and Storr, Mark T. and Wills, Andrew S. and Scanlon, David O. and de Leeuw, Nora H.},

  abstractNote = {The magnetic structure of PuO2 has been investigated by computational methods. A hereto unknown longitudinal 3k AFM ground-state that retains Fm3̄m crystal symmetry has been identified.},

  doi          = {10.1039/C8CP03583K},

  journal      = {Physical Chemistry Chemical Physics. PCCP (Print)},

  number       = 32,

  volume       = 20,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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Free Publicly Accessible Full Text
Accepted Manuscript (DOE)
Publisher's Version of Record
10.1039/C8CP03583K
https://doi.org/10.1039/C8CP03583K

Works referenced in this record:

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
Physical Review B, Vol. 57, Issue 3, p. 1505-1509
DOI: 10.1103/PhysRevB.57.1505

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
DOI: 10.1103/PhysRev.140.A1133

Special points for Brillouin-zone integrations
journal, June 1976

Monkhorst, Hendrik J.; Pack, James D.
Physical Review B, Vol. 13, Issue 12, p. 5188-5192
DOI: 10.1103/PhysRevB.13.5188

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Title: Hidden magnetic order in plutonium dioxide nuclear fuel

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