Defects of the SiC/SiO2 interface: energetics of the elementary steps of the oxidation reaction

Deák, P. and Gali, Ádám and Knaup, J. and Hajnal, Zoltán and Frauenheim, Th. and Ordejón, P. and Choyke, J.W. (2003) Defects of the SiC/SiO2 interface: energetics of the elementary steps of the oxidation reaction. Physica B: Condensed Matter, 340-42. pp. 1069-1073. ISSN 0921-4526

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Abstract

Reactions of oxygen molecules with an initially perfect 4H-SiC/SiO2 interface are studied by first principle model calculations. We show that the most likely route of reactions in the oxidation process produces carbon interstitials at the interface, which can easily be emitted into the oxide. As a result, a stationary concentration of carbon interstitials is present at the interface with a gradient decreasing toward the oxide. The electronic structure of these defects may explain many of the observed features in the distribution of interface states.

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