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Transformation of Diamond(sp3)to Graphite(sp2)Bonds by Ion-Impact

Author

Listed:
  • David Saada

    (Department of Physics, Technion, Haifa, Israel;
    Solid State Institute Technion, Haifa, Israel)

  • Joan Adler

    (Department of Physics, Technion, Haifa, Israel)

  • R. Kalish

    (Department of Physics, Technion, Haifa, Israel;
    Solid State Institute Technion, Haifa, Israel)

Abstract

The formation of point defects in diamond induced by an energetic displacement of a carbon atom out of its lattice site and the relaxation of the thereby disrupted crystal are studied by molecular dynamics simulations with the Tersoff potential. The displacement energy for Frenkel pair creation is calculated to be 52 eV, in agreement with experiments. It is found that the split interstitial, with a bonding configuration which resembles graphite, is the most stable defect, and the disrupted region around it is rich insp2-like (graphitic) bonds. This region extends several nanometers and is likely to be the elementary electrically conductive cell experimentally found in radiation-damaged diamond.

Suggested Citation

  • David Saada & Joan Adler & R. Kalish, 1998. "Transformation of Diamond(sp3)to Graphite(sp2)Bonds by Ion-Impact," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 9(01), pages 61-69.
    • Handle: RePEc:wsi:ijmpcx:v:09:y:1998:i:01:n:s0129183198000066
    DOI: 10.1142/S0129183198000066
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