Abstract
ABSTRACTFor a Si(100)2×1 surface exposed to oxygen, there is a transition from etching (“active” oxidation via removal of SiO) to “passive” oxidation (buildup of an oxide film) with decreasing surface temperature. The transition depends sensitively on a competition between SiO desorption, and oxide island formation. We analyze these processes utilizing both ab-initio quantum chemistry studies of key energetics and lattice-gas models for the cooperative behavior.
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