A computational perspective on magnetic coupling, magneto-structural correlations and magneto-caloric effect of a ferromagnetically coupled {Gd III-GdIII} Pair

Polyhedron

Volumn 52, Issue , 2013, Pages 1299-1305

  Rajeshkumar, Thayalan ^a   Singh, Saurabh Kumar ^a   Rajaraman, Gopalan ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY BOMBAY   (India)

Author keywords

DFT calculations; Magnetic coupling in 4f 4f ; Magneto structural correlations; MCE; SMMs

Indexed keywords

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; FERROMAGNETIC MATERIALS; FERROMAGNETISM; IONS; MAGNETIC COUPLINGS;

BASIS SETS; CALORIC EFFECTS; DFT CALCULATION; FERRO-MAGNETIC INTERACTIONS; FERROMAGNETIC CONTRIBUTION; FERROMAGNETIC INTERACTION; MAGNETIC COUPLING IN {4F-4F}; MAGNETO-CALORIC EFFECT; MAGNETOSTRUCTURAL CORRELATIONS; SMM;

MAGNETOS;

EID: 84875456497     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2012.06.017     Document Type: Article

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