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The Enchanting Properties of Oxygen Atoms in Silicon

  • M. Needels (a1), J.D. Joannopoulos (a1), Y. BAR-YAM (a2), S.T. Pantelides (a3) and R.H. WOLFE (a3)...
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In this paper we will present several new theoretical results on the properties of oxygen atoms in bulk crystalline silicon. Specifically, these properties will include (1) oxygen migration - where we will suggest that the conventional adiabatic-barrier model for oxygen migration may not be valid for this system; (2) oxygen catalysis - where we will demonstrate that certain oxygen configurations can act as “catalysts” to reactions that form silicon broken bond defects; and (3) oxygen aggregation - where we will introduce a new mechanism for the initial stages of aggregation and oxidation within the bulk of crystalline silicon.

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