Evaluation of27Al and51v electric field gradients and the crystal structure for aluminum orthovanadate (AlVO4) by density functional theory calculations

Journal of Physical Chemistry B

Volumn 110, Issue 12, 2006, Pages 5975-5983

  Hansen, Michael Ryan ^a   Madsen, Georg K H ^a   Jakobsen, Hans J ^a   Skibsted, Jørgen ^a  

^a AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; ELECTRIC FIELDS; ELECTRONICS PACKAGING; PROBABILITY DENSITY FUNCTION; TENSORS;

ALUMINUM ORTHOVANADATE; DENSITY FUNCTIONAL THEORY (DFT); ELECTRIC-FIELD GRADIENT (EFG);

ALUMINUM COMPOUNDS;

EID: 33645801576     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0555549     Document Type: Article

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