Lattice Monte-Carlo Simulations of Vacancy-Mediated Diffusion and Implications for Continuum Models of Coupled Diffusion

  • S. T. Dunham
  • C. D. Wu


In this paper, we analyze the interactions of dopants with vacancies using Lattice Monte-Carlo simulations and find that the assumptions underlying pair diffusion models lead to several corrections to the standard continuum models for coupled dopant/defect diffusion. Specifically, we find that at high doping levels, both the effective pair diffusivity as well self-diffusion due to vacancies increase rapidly with doping level due to the interactions of vacancies with multiple dopants. In addition, we find that pair diffusion theories overestimate the dopant flux resulting from gradients in the vacancy concentration.


Doping Level Couple Diffusion High Doping Level Dopant Diffusion Pair Diffusion 
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  1. [1]
    M. Yoshida, Jap. J. Appl. Phys. 22, 1404 (1983).CrossRefGoogle Scholar
  2. [2]
    D. Mathiot and J. C. Pfister, J. Appl. Phys. 55, 3518 (1984).CrossRefGoogle Scholar
  3. [3]
    S. T. Dunham, J. Electrochem. Soc. 139, 2628 (1992).CrossRefGoogle Scholar
  4. [4]
    P. M. Fahey, P. B. Griffin and J. D. Plummer, Rev. Mod. Phys. 61, 289 (1989).CrossRefGoogle Scholar
  5. [5]
    M. Hirata, M. Hirata and H. Saito, J. Phys. Soc. Jap. 27, 405 (1969).CrossRefGoogle Scholar
  6. [6]
    A. Nylandsted Larsen, K. Kyllesbech Larsen, P. E. Andersen, B. G. Svensson, J. Appl. Phys. 73, 691 (1993).CrossRefGoogle Scholar
  7. [7]
    S. T. Dunham and C. D. Wu, NUPAD V Proceedings, 101 (1994).Google Scholar
  8. [8]
    D. Mathiot and J. C. Pfister, J. Phys. Lett. 43, L-453 (1982).CrossRefGoogle Scholar
  9. [9]
    D. Mathiot and J. C. Pfister, J. Appl. Phys. 66, 1970 (1989).CrossRefGoogle Scholar
  10. [10]
    K. Maser, Expt. Tech. Phys. 39, 169 (1991).Google Scholar
  11. [11]
    S. List, P. Pichler and H. Ryssel, J. Appl. Phys. 76, 223 (1994).CrossRefGoogle Scholar

Copyright information

© Springer-Verlag Wien 1995

Authors and Affiliations

  • S. T. Dunham
    • 1
  • C. D. Wu
    • 1
  1. 1.Department of Electrical Computer and Systems EngineeringBoston UniversityBostonUSA

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