Potential existence of post-perovskite nitrides; DFT studies of ThTaN3

Journal of Solid State Chemistry

Volumn 183, Issue 5, 2010, Pages 994-999

  Matar, Samir F ^a   Demazeau, Gérard ^a  

^a UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

Chemical bonding; DFT; LDA; Nitrides; Perovskite; Post perovskite; Semi conductors

Indexed keywords

BONDING; CHEMICAL ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; EQUATIONS OF STATE; GROUND STATE; NITRIDES; PEROVSKITE; TANTALUM COMPOUNDS; THORIUM COMPOUNDS;

CHEMICAL BONDINGS; CHEMICAL SYSTEMS; CORNER SHARING; CUBIC PEROVSKITE; EDGE-SHARING OCTAHEDRA; ORTHORHOMBIC PEROVSKITE; POST PEROVSKITE; STABILIZING ENERGY;

CHEMICAL BONDS;

EID: 77953132550     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2010.03.002     Document Type: Article

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