Structural and electronic properties of clean and defected Si-SiC[001] surfaces
- Resource Type
- Conference
- Authors
- Galli, G.; Gygi, F.; Catellani, A.
- Source
- Semiconducting and Insulating Materials 1998. Proceedings of the 10th Conference on Semiconducting and Insulating Materials (SIMC-X) (Cat. No.98CH36159) Semiconducting and insulating materials Semiconducting and Insulating Materials, 1998. (SIMC-X) Proceedings of the 10th Conference on. :279-282 1998
- Subject
- Components, Circuits, Devices and Systems
Engineered Materials, Dielectrics and Plasmas
Surface cleaning
Surface reconstruction
Silicon carbide
Image reconstruction
Bonding
Geometry
Tensile stress
Surface fitting
Laboratories
Density functional theory
- Language
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(2/spl times/1) reconstruction, whereas a bulk under tensile stress shows a c(4/spl times/2) reconstruction. 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.