Theoretical studies on relation among structures, electric structures and magnetic interactions in MMX complexes

Polyhedron

Volumn 26, Issue 9-11, 2007, Pages 2154-2160

  Kitagawa, Y ^a   Shoji, M ^a   Koizumi, K ^a   Kawakami, T ^a   Okumura, M ^a   Yamaguchi, K ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Density functional theory (DFT) calculation; Effective exchange integral (Jab); Magnetic interaction; MMX; Potential surface

Indexed keywords

DENSITY (OPTICAL); DENSITY FUNCTIONAL THEORY; POLARIZATION; SPIN DENSITY WAVES;

CHARGE POLARIZATION; DENSITY-FUNCTIONAL THEORY CALCULATIONS; EFFECTIVE EXCHANGE INTEGRAL (JAB); EFFECTIVE EXCHANGE INTEGRALS; ELECTRIC MAGNETIC; ELECTRIC STRUCTURE; MAGNETIC INTERACTIONS; MMX; POTENTIAL SURFACES; THEORETICAL STUDY;

ELECTRONIC STRUCTURE;

EID: 34249669258     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2006.10.053     Document Type: Article

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