Density Functional Theory Investigation of One-Dimensional Organic-Metallic Multiple-Decked Sandwich Model

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  • RAHMAN Md. Mahmudur
    Department of Applied Physics, Osaka University
  • MUHIDA Rifki
    Department of Applied Physics, Osaka University
  • DIÑO Wilson Agerico
    Department of Applied Physics, Osaka University Department of Physics, Osaka University Center for the Promotion of Research on Nanoscience and Nanotechnology, Osaka University Physics Department, De La Salle University
  • NAKANISHI Hiroshi
    Department of Applied Physics, Osaka University
  • KASAI Hideaki
    Department of Applied Physics, Osaka University

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Description

We investigate electric and magnetic properties of a benzene-iron complex chain [Fe(C6H6)]∞. By performing first principles calculation based on the spin-polarized density functional theory, we find that this system shows semiconducting behavior having magnetic moment. We also show that this system is stable due to the Fe atom.

Journal

  • Shinku

    Shinku 48 (3), 232-234, 2005

    The Vacuum Society of Japan

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