Structural, electronic and energetic properties of uranium–americium mixed oxides ${\rm U}_{1-y}{\rm Am}_y{\rm O}_2$ using DFT$+{U}$ calculations

Martin Talla Noutack; Gérald Jomard; Michel Freyss; Grégory Geneste

doi:10.1088/1361-648X/ab395e

Journal articles

Structural, electronic and energetic properties of uranium–americium mixed oxides ${\rm U}_{1-y}{\rm Am}_y{\rm O}_2$ using DFT$+{U}$ calculations

Martin Talla Noutack ^{1, 2} Gérald Jomard ^{1, 2} Michel Freyss ^{1, 2} Grégory Geneste ³

1 DEC - Département d'Etudes des Combustibles

2 CEA-DES (ex-DEN) - CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire)

3 DAM/DIF - DAM Île-de-France

Document type :

Journal articles

Domain :

Physics [physics] / Nuclear Theory [nucl-th]

Physics [physics] / Nuclear Experiment [nucl-ex]

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https://hal-cea.archives-ouvertes.fr/cea-02535457
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Submitted on : Tuesday, April 7, 2020 - 4:02:37 PM
Last modification on : Wednesday, March 3, 2021 - 3:32:02 PM

Structural, electronic and energetic properties of uranium–americium mixed oxides ${\rm U}_{1-y}{\rm Am}_y{\rm O}_2$ using DFT$+{U}$ calculations

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Structural, electronic and energetic properties of uranium–americium mixed oxides ${\rm U}_{1-y}{\rm Am}_y{\rm O}_2$ using DFT$+{U}$ calculations

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