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Structural and Electronic Properties of a Thin Metal-Silicide Film on Silicon Surface: A First-Principles Study

Author

Listed:
  • Byung Sub Kang

    (Institute for Basic Science, Department of Physics, Chungbuk National University, Cheongju, 361-763, South Korea)

  • Hee Jae Kang

    (Institute for Basic Science, Department of Physics, Chungbuk National University, Cheongju, 361-763, South Korea)

  • Suhk Kun Oh

    (Institute for Basic Science, Department of Physics, Chungbuk National University, Cheongju, 361-763, South Korea)

Abstract

The structural stability of metal(M)silicide (M= Co, Ni) phases and magnetic properties for the deposited one and two monolayers (ML) ofMon the Si(001) surface was studied by the use of theab initiofull-potential linear muffin-tin orbital (FP-LMTO) method. The diffusion ofMatoms on Si into the tetrahedral (fourfoldM) sites was found to be energetically favorable. The depositedMatoms easily migrate into the bulk because the diffusion or interchange is energetically more favorable than the formation of cluster in a surface layer. The energetics for the structural stability of the "fourfold Si surface" model was compared with that of the sixfold structural model. Our results for the electronic properties of theMSi2/Si(001) surface and interface were compared with experimental and other theoretical results.

Suggested Citation

  • Byung Sub Kang & Hee Jae Kang & Suhk Kun Oh, 2003. "Structural and Electronic Properties of a Thin Metal-Silicide Film on Silicon Surface: A First-Principles Study," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 10(02n03), pages 183-188.
    • Handle: RePEc:wsi:srlxxx:v:10:y:2003:i:02n03:n:s0218625x03005128
    DOI: 10.1142/S0218625X03005128
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