DFT + U investigation of charged point defects and clusters in UO2

Emerson Vathonne (1) , Julia Wiktor (1) , Michel Freyss (1) , Gérald Jomard (1) , M. Bertolus (1)

1 DEC - Département d'Etudes des Combustibles

Domaines: Physique [physics]; Matière Condensée [cond-mat]; Science des matériaux [cond-mat.mtrl-sci]; Electrons fortement corrélés [cond-mat.str-el]

Emerson Vathonne, Julia Wiktor, Michel Freyss, Gérald Jomard, M. Bertolus. DFT + U investigation of charged point defects and clusters in UO2. Journal of Physics: Condensed Matter, 2014, 26, ⟨10.1088/0953-8984/26/34/349601⟩. ⟨cea-02066524⟩