Atomic-Scale Dynamics of the Formation and Dissolution of Carbon Clusters in SiO2

Details Atomic-Scale Dynamics of the Formation and Dissolution of Carbon Clusters in SiO2 Atomic-Scale Dynamics of the Formation and Dissolution of Carbon Clusters in SiO2

2001-05-29

arxiv.org/abs/cond-mat/0105572v1

Phys. Rev. Lett. 86, 5946 (2001)

Physics

Condensed Matter

Materials Science

RevTex, 4 pages, 2 ps figures, to appear in Phys. Rev. Lett. (June 25, 2001)

Scientific paper

10.1103/PhysRevLett.86.5946

Oxidation of SiC produces SiO2 while CO is released. A `reoxidation' step at lower temperatures is, however, necessary to produce high-quality SiO2. This step is believed to cleanse the oxide of residual C without further oxidation of the SiC substrate. We report first-principles calculations that describe the nucleation and growth of O-deficient C clusters in SiO2 under oxidation conditions, fed by the production of CO at the advancing interface, and their gradual dissolution by the supply of O under reoxidation conditions. We predict that both CO and CO2 are released during both steps.

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