Diffusion of Ge below the Si(100) Surface: Theory and Experiment

Phys. Rev. Lett. 84, 2441 – Published 13 March 2000
Blas P. Uberuaga, Michael Leskovar, Arthur P. Smith, Hannes Jónsson, and Marjorie Olmstead


We have studied diffusion of Ge into subsurface layers of Si(100). Auger electron diffraction measurements show Ge in the fourth layer after submonolayer growth at temperatures as low as 500 °C. Density functional theory predictions of equilibrium Ge subsurface distributions are consistent with the measurements. We identify a surprisingly low energy pathway resulting from low interstitial formation energy in the third and fourth layers. Doping significantly affects the formation energy, suggesting that n-type doping may lead to sharper Si/Ge interfaces.

DOI: http://dx.doi.org/10.1103/PhysRevLett.84.2441

  • Received 22 September 1999
  • Published in the issue dated 13 March 2000

© 2000 The American Physical Society

Authors & Affiliations

Blas P. Uberuaga1,2, Michael Leskovar1,*, Arthur P. Smith2,†, Hannes Jónsson1,2,‡, and Marjorie Olmstead1

  • 1Department of Physics, Box 351560, University of Washington, Seattle, Washington 98195-1560
  • 2Department of Chemistry, Box 351700, University of Washington, Seattle, Washington 98195-1700

  • *Present address: The Boeing Company, P.O. Box 3707, M/C 42-85, Seattle, WA 98124.
  • Present address: American Physical Society, 1 Research Road, Ridge, NY 11961.
  • Electronic address: hannes@u.washington.edu

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