Influence of 3d transition metals (Fe, Co) on the structural, electrical and magnetic properties of C60 nano-cage

Physica B: Condensed Matter

Volumn 405, Issue 24, 2010, Pages 4937-4942

  Bezi Javan, M ^a   Tajabor, N ^a   Behdani, M ^a   Rezaee Rokn Abadi, M ^a  

^a FERDOWSI UNIVERSITY OF MASHHAD   (Iran)

Author keywords

Endohedral fullerene; Exohedral fullerene; Heterofullerene; Transition metal

Indexed keywords

3D TRANSITION METALS; CARBON ATOMS; CHARGE DEPLETION; DOUBLE BONDS; ELECTRICAL AND MAGNETIC PROPERTY; ENDOHEDRAL FULLERENE; EXOHEDRAL; FE ATOMS; FULLERENE CAGES; GAP STATE; GENERALIZED GRADIENT APPROXIMATIONS; GEOMETRY OPTIMIZATION; HETEROFULLERENES; HIGHEST OCCUPIED MOLECULAR ORBITAL; LOWEST UNOCCUPIED MOLECULAR ORBITAL; ORBITALS; POPULATION ANALYSIS; TOTAL ENERGY CALCULATION;

BINDING ENERGY; CHARGE TRANSFER; CHEMICAL BONDS; COMPLEXATION; CURVE FITTING; DENSITY FUNCTIONAL THEORY; ELECTRIC PROPERTIES; FULLERENES; ION EXCHANGE; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MOLECULAR MODELING; MOLECULAR ORBITALS; NUCLEAR ENERGY; POTENTIAL ENERGY; STRUCTURAL METALS; TRANSITION METALS;

ATOMS;

EID: 78049433245     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.09.035     Document Type: Article

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