Are Ba11Cd6Sb12 and Sr11Cd 6Sb12 zintl phases or not? A density-functional theory study

Journal of Computational Chemistry

Volumn 29, Issue 13, 2008, Pages 2125-2133

  Xia, Sheng Qing ^a   Bobev, Svilen ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

Ba11Cd6Sb12; Density functional theory; Electronic structure; Zintl phases

Indexed keywords

BA11CD6SB12; CHEMICAL BONDINGS; DENSITY-FUNCTIONAL THEORY; ELECTRONIC BAND STRUCTURES; ELECTRONIC STRUCTURE; ISOSTRUCTURAL; ZINTL PHASES;

ARSENIC COMPOUNDS; BARIUM; CHEMICAL BONDS; CHLORINE COMPOUNDS;

CHEMICAL COMPOUNDS;

EID: 50149106298     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20983     Document Type: Article

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