DFT study of electronic and magnetic structure of perovskite and post-perovskite CaRhO3

Solid State Sciences

Volumn 12, Issue 3, 2010, Pages 373-378

  Matar, Samir F ^a   Demazeau, Gérard ^a   Largeteau, Alain ^a  

^a UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

4D oxides; Chemical bonding; DFT; GGA; Magnetic interactions; Perovskite; Post perovskite

Indexed keywords

CHEMICAL ANALYSIS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; EQUATIONS OF STATE; FERROMAGNETISM; OXYGEN; PEROVSKITE;

CHEMICAL BONDINGS; EDGE-SHARING OCTAHEDRA; EQUILIBRIUM VALUE; LONG RANGE ORDERS; MAGNETIC INTERACTIONS; MAGNETIC ORDERS; OXYGEN SUBLATTICES; POST PEROVSKITE;

RHODIUM COMPOUNDS;

EID: 77249155499     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2009.11.017     Document Type: Article

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