Ab initio studies of the electronic structure of the quaternary system LiBC4N4

Journal of Alloys and Compounds

Volumn 427, Issue 1-2, 2007, Pages 61-66

  Matar, S F ^a   Betranhandy, E ^a   Nakhl, M ^b  

^a INST CHIM MATIERE COND BORDEAUX   (France)

^b HOLY SPIRIT UNIVERSITY OF KASLIK USEK   (Lebanon)

Author keywords

DFT LDA; ECOV; Electronic structure; ELF; Geometry optimization; Ionic crystal

Indexed keywords

CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; OPTIMIZATION; STOICHIOMETRY; SYNTHESIS (CHEMICAL);

AB INITIO STUDIES; CRYSTAL CELL SIZE; GEOMETRY OPTIMIZATION; IONIC CRYSTAL; QUATERNARY SYSTEM; STABILIZATION ENERGIES;

LITHIUM COMPOUNDS;

EID: 36949038241     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2006.03.033     Document Type: Article

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