Investigation of the chemical bonding in nickel mixed oxides from electronic structure calculations

Journal of Physics and Chemistry of Solids

Volumn 57, Issue 12, 1996, Pages 1839-1850

  Choisnet, J ^a   Evarestov, R A ^b   Tupitsyn, I I ^b   Veryazov, V A ^a  

^a UNIVERSITÉ D'ORLÉANS   (France)

^b ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

A. oxides; D. crystal structure; D. electronic structure

Indexed keywords

BAND STRUCTURE; CALCULATIONS; CHEMICAL BONDS; CRYSTAL STRUCTURE; MATHEMATICAL MODELS; NICKEL COMPOUNDS; OXIDES;

ATOMIC CHARGE; ATOMIC VALENCE; COVALENT BOND ORDER; ELECTRONIC STRUCTURE CALCULATIONS; NICKEL MIXED OXIDES;

ELECTRONIC STRUCTURE;

EID: 0030387072     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-3697(96)00074-1     Document Type: Article

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