Oxygen '96
Early Stages of Oxygen Precipitation in Silicon
OXYGEN DIFFUSION IN SI - A VERY COMPLEX SIMPLE JUMP
M. Ramamoorthy, S. T. Pantelides
Department of Physics and Astronomy, Vanderbilt University,
Nashville, USA
Keywords: oxygen, silicon, diffusion, interstitial, theory.
Oxygen migration in silicon corresponds to an apparently simple jump
between neighbouring bridge sites. Yet extensive theoretical
calculations have so far produced conflicting results and have failed
to provide a satisfactory account of the observed 2.5 eV activation
energy. We report a comprehensive set of first-principles
calculations that demonstrate that the seemingly simple oxygen jump is
actually a complex process involving coupled barriers and can be
properly described quantitatively in terms of an energy hypersurface
with a "saddle ridge" and an activation energy of approximately 2.5
eV. Earlier calculations correspond to different points or lines on
this hypersurface.
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Last modified: Sun Mar 17 14:44:41 GMT 1996
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