Periodic DFT study of the structural and electronic properties of bulk CoAl2O4 spinel

Journal of Physical Chemistry B

Volumn 110, Issue 2, 2006, Pages 988-995

  Tielens, F ^a   Calatayud, M ^a   Franco, R ^b   Recio, J M ^b   Perez Ramirez ^c   Minot, C ^a  

^a SORBONNE UNIVERSITÉ   (France)

^b UNIVERSITY OF OVIEDO   (Spain)

^c INSTITUTE OF CHEMICAL RESEARCH OF CATALONIA ICIQ   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COBALT COMPOUNDS; ELECTRONIC STRUCTURE; MAGNETIC PROPERTIES; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY; GEOMETRICAL VIBRATIONS;

ELECTRONIC PROPERTIES;

EID: 31644431504     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp053375l     Document Type: Article

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