Abstract
A hypothesis on the atomic structure of silicon oxide is proposed to explain the discrepancy between theoretical and experimental studies on the oxygen diffusion and the interfacial reaction during the thermal silicon oxidation process. The hypothesis says that silicon oxide contains “oxygen traps”, in which the molecular oxygen can be located with almost 0 dissolving enthalpy. The density of the “traps” is ∼1016 cm-3. A possible local structure is also proposed based on the first-principles calculations.
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