Defect Abundances and Diffusion Mechanisms in Diamond, SiC, Si and Ge

  • J. Bernholc
  • A. Antonelli
  • C. Wang
  • R. F. Davis
  • S. T. Pantelides


Many of the important properties of semiconductors are affected by the presence of native defects. These include diffusion of native atoms and impurities, electronic properties, structural rearrangements during growth or processing, etc. We have used local density theory and non-local pseudopotentials to study trends in the relative abundance of native defects and in self-diffusion (diffusion of native tracer atoms) in diamond, SiC, Si and Ge. Both point-defect-mediated diffusion and direct exchange of lattice atoms were considered. All calculations were carried out using the same methodology and similar convergence criteria.


Formation Energy Film Diamond Native Defect Direct Exchange Substitutional Defect 
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Copyright information

© Plenum Press, New York 1989

Authors and Affiliations

  • J. Bernholc
    • 1
  • A. Antonelli
    • 1
  • C. Wang
    • 1
  • R. F. Davis
    • 2
  • S. T. Pantelides
    • 3
  1. 1.Departments of PhysicsNorth Carolina State UniversityRaleighUSA
  2. 2.Departments of Materials Science and EngineeringNorth Carolina State UniversityRaleighUSA
  3. 3.IBM T. J. Watson Research CenterYorktown HeightsUSA

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