First-principles study on the electronic structure and the ferromagnetic properties of the organic-inorganic hybrid compound Cr[(H3N-(CH 2)2-PO3)(Cl)(H2O)]

Journal of Magnetism and Magnetic Materials

Volumn 301, Issue 1, 2006, Pages 112-117

  Yao, K L ^a,b   Li, Y L ^a   Liu, Z L ^a  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

Density functional theory; Electronic structure; Ferromagnetic properties

Indexed keywords

APPROXIMATION THEORY; COMPUTATION THEORY; FERROMAGNETIC MATERIALS; MAGNETIC MOMENTS; PROBABILITY DENSITY FUNCTION;

DENSITY-FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATION (GGA) METHOD; ORGANIC-INORGANIC HYBRID COMPOUNDS; SPIN MAGNETIC MOMENTS;

ELECTRONIC STRUCTURE;

EID: 33644879729     PISSN: 03048853     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmmm.2005.06.022     Document Type: Article

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