• DocumentCode
    3535154
  • Title

    Magnetism of Fe@C20, Fe@C20H20, and Fe2@C30

  • Author

    Jo, Chulsu ; Lee, J.I.

  • Author_Institution
    Dept. of Phys., Inha Univ., Incheon, South Korea
  • fYear
    2005
  • fDate
    4-8 April 2005
  • Firstpage
    1057
  • Lastpage
    1058
  • Abstract
    The structural ability and magnetism of Fe@C20, Fe@C20H20, and Fe2@C30 are studied using ab initio calculations. The binding energy and magnetic moment are obtained by solving the Kohn-Sham equations with localized orbital basis set. The values of the binding energy of each encapsulated Fe atom and Fe dimer are then used to calculate their chemical stability. The effects of the carbon encapsulation on the chemical stability and magnetic moment of the atom and dimer are investigated.
  • Keywords
    ab initio calculations; binding energy; chemical structure; electronic density of states; encapsulation; ferromagnetic materials; fullerenes; iron; iron compounds; magnetic moments; metal clusters; C20H20; C30; Fe2; Kohn-Sham equations; ab initio calculations; binding energy; carbon encapsulation; chemical stability; localized orbital basis set; magnetic moment; magnetism; structural ability; Chemical technology; Iron; Magnetic moments; Poles and towers; Stability;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Magnetics Conference, 2005. INTERMAG Asia 2005. Digests of the IEEE International
  • Print_ISBN
    0-7803-9009-1
  • Type

    conf

  • DOI
    10.1109/INTMAG.2005.1463958
  • Filename
    1463958
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=3535154