The ferromagnetic copper (II)-azido compound [Cu(L)2(N 3)2]n [L=4-(dimethylamino)pyridine] studied by first-principle calculation

Physica B: Condensed Matter

Volumn 358, Issue 1-4, 2005, Pages 216-223

  Zhang, Y S ^a   Yao, K L ^a,b   Liu, Z L ^a  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

Cu(L)2(N3)2 n; Azido group; Spin delocalization

Indexed keywords

CHEMICAL BONDS; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; FERROMAGNETIC MATERIALS; GRADIENT METHODS; GROUND STATE; MAGNETIC COUPLINGS; MAGNETISM; NITROGEN; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

[CU(L)2(N3)2]N]; AZIDO GROUP; DENSITY FUNCTIONAL THEORY (DFT); SPIN DELOCALIZATIONS;

COPPER COMPOUNDS;

EID: 15444379397     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2005.01.239     Document Type: Article

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