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Atomistic model of the 4H(0001)SiC-SiO2 interface: Structural and electronic properties

Abstract:
Through the sequential use of classical molecular dynamics and first-principles relaxation methods, we generate an abrupt model interface for the 4H(0001)SiC-SiO2 interface showing regular structural parameters without any coordination defect. The valence and conduction band offsets are calculated and found to be in fair agreement with the experimental values. Si-2p core-level shifts are calculated for this model interface and compared with available experimental data. © 2007 American Institute of Physics.

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Publisher copy:
10.1063/1.2729890

Authors


Devynck, F More by this author
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
Pasquarello, A More by this author
Journal:
AIP Conference Proceedings
Volume:
893
Pages:
307-308
Publication date:
2007
DOI:
EISSN:
1551-7616
ISSN:
0094-243X
URN:
uuid:c7f97063-35e6-44ae-a0ac-dec10cd7d142
Source identifiers:
179102
Local pid:
pubs:179102
Language:
English
Keywords:

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