Periodic DFT approaches to crystalline alkali metal azides

Chinese Science Bulletin

Volumn 47, Issue 14, 2002, Pages 1180-1183

  Ju, Xuehai ^a   Xiao, Heming ^a   Ji, Guangfu ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Band structure; Crystalline alkali metal azides; DFT; Electronic structure

Indexed keywords

ALKALI METAL; AZIDE; CRYSTALLIN; LITHIUM DERIVATIVE; POTASSIUM DERIVATIVE; SODIUM DERIVATIVE;

ARTICLE; CHEMICAL BOND; CRYSTAL; DENSITY; DENSITY FUNCTIONAL THEORY; ELECTRON; ELECTRONICS; ENERGY; STRUCTURE ANALYSIS;

EID: 20744440351     PISSN: 10016538     EISSN: None     Source Type: Journal    
DOI: 10.1360/02tb9264     Document Type: Article

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