First-principles study on the effect of SiO{sub 2} layers during oxidation of 4H-SiC
- Center for Computational Sciences, University of Tsukuba, Tsukuba, Ibaraki 305-8577 (Japan)
- Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871 (Japan)
The effect of SiO{sub 2} layers during the thermal oxidation of a 4H-SiC(0001) substrate is examined by performing the first-principles total-energy calculations. Although it is expected that a CO molecule is the most preferable product during the oxidation, CO{sub 2} molecules are mainly emitted from the SiC surface at the initial stage of the oxidation. As the oxidation proceeds, CO{sub 2} emission becomes less favorable and CO molecules are emitted from the interface. We conclude that the interface stress due to the lattice constant mismatch between 4H-SiC(0001) and SiO{sub 2} is responsible for the removal of C during the oxidation, resulting in the characteristic electronic property of the interface fabricated by the thermal oxidation.
- OSTI ID:
- 22412683
- Journal Information:
- Applied Physics Letters, Vol. 106, Issue 8; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
- Country of Publication:
- United States
- Language:
- English
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