Ab initio investigation of boron diffusion paths in germanium



Boron is observed to diffuse very slowly in germanium, as opposed to its behaviour in silicon where it exhibits Transient Enhanced Diffusion effects in implanted samples. As a result of this slow diffusion, boron is a very stable dopant, allowing devices to be created with very well-defined doping regions. To understand this superior performance, calculations were performed on a variety of boron diffusion paths, within vacancy and interstitial mediated methods. It was found that the vacancy mediated diffusion which is associated with the fast diffusion of many other species in germanium exhibits a total barrier of 5.8 eV. Interstitial-mediated diffusion had a total barrier for migration of 3.4 eV in the neutral and singly negative charge states, 3.2 eV for the positive charge state, but a formation barrier of 4.1 eV. Thus the barrier for interstitial-mediated diffusion is dominated by the formation energy of the self-interstitial.


  1. 1.
    J. Vanhellemont, O. De Gryse, S. Hens, P. Vanmeerbeek, D. Poelman, P. Clauws, E. Simoen, C. Claeys, I. Romandic, A. Theuwis, G. Raskin, H. Vercammen, P. Mijlemans, Defect Diffus Forum 230, 149 (2004)CrossRefGoogle Scholar
  2. 2.
    C.O. Chui, K. Gopalakrishnan, P.B. Griffin, J.D. Plummer, K.C. Saraswat, Appl. Phys. Lett. 83, 3275 (2003)Google Scholar
  3. 3.
    N.E.B. Cowern, G. Mannino, P.A. Stolk, F. Roozeboom, H.G.A. Huizing, J.G.M. van Berkum, F. Cristiano, A. Claverie, M. Jaraíz, Phys. Rev. Lett. 82, 4460 (1999)Google Scholar
  4. 4.
    D.J. Eaglesham, T.E. Haynes, H.J. Gossmann, D.C. Jacobson, P.A. Stolk, J.M. Poate, Appl. Phys. Lett. 70, 3281 (1997)Google Scholar
  5. 5.
    W.C Dunlap, Jr, Phys. Rev. 94, 1531 (1954)Google Scholar
  6. 6.
    A.R. Peaker, A. Satta, V.P. Markevich, E. Simoen and B. Hamilton (in press)Google Scholar
  7. 7.
    N. Stolwijk, Germanium, Landolt-Börnstein New Series III/22b (1988)Google Scholar
  8. 8.
    S. Uppal, A.F.W. Willoughby, J.M. Bonar, N.E.B. Cowern, T. Grasby, R.J.H. Morris, M.G. Dowsett, J. Appl. Phys. 96, 1376 (2004)Google Scholar
  9. 9.
    P. Delugas, V. Fiorentini, Phys. Rev. B 69, 085203 (2004)CrossRefGoogle Scholar
  10. 10.
    M. Werner, H. Mehrer,H.D. Hocheimer, Phys. Rev. B 32, 3930 (1985)Google Scholar
  11. 11.
    H. Bracht, N.A. Stolwijk, H. Mehrer, Phys. Rev. B 43, 14465 (1991)CrossRefGoogle Scholar
  12. 12.
    F.C. Frank, D. Turnbull, Phys. Rev. 104, 617 (1956)CrossRefGoogle Scholar
  13. 13.
    K.C. Pandey, Phys. Rev. Lett. 57, 2287 (1986)Google Scholar
  14. 14.
    H.M. Pinto, J. Coutinho, V.J.B. Torres, S. Öberg and P.R. Briddon, (in press)Google Scholar
  15. 15.
    J. Coutinho, S. Öberg, V.J.B. Torres and P.R. Briddon, Phys. Rev. B 73, 235213 (2006)CrossRefGoogle Scholar
  16. 16.
    P.R. Briddon, R. Jones, Phys. Status Solidi B 217, 131 (2000)CrossRefGoogle Scholar
  17. 17.
    S. Goedecker, M. Teter and J. Hutter, Phys. Rev. B 54, 1703 (1996)Google Scholar
  18. 18.
    J.P. Perdew, Y. Wang, Phys. Rev. B 45, 13244 (1992)CrossRefGoogle Scholar
  19. 19.
    C. Hartwigsen, S. Goedecker and J. Hutter, Phys. Rev. B 58, 3662 (1998)CrossRefGoogle Scholar
  20. 20.
    H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13, 5188 (1976)Google Scholar
  21. 21.
    CRC Handbook of Chemistry and Physics, 81st edn., ed. by D.R. Lide (CRC Press LLC, Boca Raton, 2000)Google Scholar
  22. 22.
    G. Henkelman, H. Jónsson, J. Chem. Phys. 113, 9978 (2000)Google Scholar
  23. 23.
    A. Carvalho, R. Jones, V.J.B. Torres, S. Öberg, J.M. Campanera Alsina, M. Shaw, P.R. Briddon, (in press)Google Scholar
  24. 24.
    J. Coutinho. R. Jones, P.R. Briddon, S. Öberg, Phys. Rev. B 62, 10824 (2000)CrossRefGoogle Scholar
  25. 25.
    J. Coutinho, R. Jones, V.J.B. Torres, M. Barroso, S. Öberg, P.R. Briddon, J. Phys. Cond. Mat. 17, L521 (2005)CrossRefGoogle Scholar
  26. 26.
    J. Coutinho, V.J.B. Torres, R. Jones, A. Carvalho, S. Öberg, P.R. Briddon, Appl. Phys. Lett. 88, 091919 (2006)CrossRefGoogle Scholar
  27. 27.
    J. Adey, R. Jones, P.R. Briddon, Appl. Phys. Lett. 83, 665 (2003)CrossRefGoogle Scholar
  28. 28.
    J. Adey, J.P. Goss, R. Jones, P.R. Briddon, Phys. Rev. B 67, 245325 (2003)CrossRefGoogle Scholar
  29. 29.
    A.J.R. da Silva, A. Janotti, A. Fazzio, R.J. Baierle, R. Mota, Phys. Rev. B 62, 9903 (2000)Google Scholar
  30. 30.
    W. Windl, M.M. Bunea, R. Stumpf, S.T. Dunham, M.P. Masquelier, Phys. Rev. Lett. 83, 4345 (1999)Google Scholar

Copyright information

© Springer Science+Business Media, LLC 2006

Authors and Affiliations

  1. 1.School of PhysicsUniversity of ExeterExeterUK
  2. 2.Department of MathematicsLuleå University of TechnologyLuleåSweden
  3. 3.School of Natural SciencesUniversity of Newcastle upon TyneNewcastle upon TyneUK

Personalised recommendations