conference paper
Atomic processes during silicon oxidation: Oxygen diffusion through the oxide layer
2003
Physics of Semiconductors 2002 Proceedings of the 26th International Conference, Edinburgh, 29 July to 2 August 2002
First-principles calculations, classical molecular dynamics, and Monte-Carlo simulations are used in sequence to describe at the atomic scale the long-range oxygen migration through the amorphous SiO 2 layer during silicon oxidation. The O 2 molecule is identified as the transported oxygen species and is found to percolate through interstices without exchanging oxygen atoms with the network. The effective activation energy for diffusion is found in agreement with experimental values.
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