Structural and electronic properties of clean and defected Si-SiC(001) surfaces
Conference
·
OSTI ID:302843
We have studied the reconstructions and electronic properties of both clean and defected Si-terminated (001) surfaces of cubic SiC, by performing -first principles computations within density functional theory. We find that the unstrained bulk exhibits a stable p(2xl) reconstruction, whereas a bulk under tensile stress shows a c(4x2) 1econstruction Furthermore our calculations indicate that ad-dimers are common defects on the Si-terminated SIC(001) surface These results permit the interpretation of recent STM and X-ray- photoemission experimental data.
- Research Organization:
- Lawrence Livermore National Lab., CA (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 302843
- Report Number(s):
- UCRL-JC--131036; CONF-980687--; ON: DE98058630; BR: DP0101031
- Country of Publication:
- United States
- Language:
- English
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