Investigation of molybdenum and caesium behaviour in urania by ab initio calculations

Journal of Physics Condensed Matter

Volumn 21, Issue 28, 2009, Pages

  Brillant, G ^a   Gupta, F ^a   Pasturel, A ^b,c  

^a LETR   (France)

^b GRENOBLE INSTITUTE OF TECHNOLOGY   (France)

^c UNIVERSITÉ JOSEPH FOURIER   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; CORRELATION EFFECT; DIVACANCIES; OVER-STOICHIOMETRIC; PROJECTOR AUGMENTED WAVES; SCHOTTKY DEFECTS; TERNARY COMPOUNDS; THEORETICAL STUDY; VIENNA AB-INITIO SIMULATION PACKAGES;

CESIUM; DENSITY FUNCTIONAL THEORY; MOLYBDENUM; OXYGEN; TRANSURANIUM ELEMENTS; URANIUM; VACANCIES;

URANIUM DIOXIDE;

EID: 67651152937     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/28/285602     Document Type: Article

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