Characterization of carbon-carbon bonds on the SiC(001)c(2×2) surface
- 15 October 1996
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 54 (15) , 10304-10307
- https://doi.org/10.1103/physrevb.54.10304
Abstract
The c(2×2) reconstruction of the C-terminated 3C-SiC(001) surface has been characterized using first-principles density-functional calculations for a series of possible geometries. The bonding of the carbon atoms is found to be the key for understanding the surface reconstruction. The triple-bond bridging configuration is favored over the double-bond dimer reconstruction typical for group-IV (001) surfaces for reasons of energetic stability and the electronic structure. However, a partial dangling-bond saturation due to hydrogen cannot be excluded. Our results for the atomic and electronic structure agree reasonably with the experimental information available. © 1996 The American Physical Society.Keywords
This publication has 15 references indexed in Scilit:
- Structural Determination of -SiC(100)- from C-1 Surface-Core-Exciton and Si- AbsorptionPhysical Review Letters, 1996
- Na/carbon-rich β-SiC(100) surface: Initial interface formation and metallizationJournal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, 1995
- Atomic structure of β-SiC(100) surfaces: an ab initio studySurface Science, 1995
- Dimer Reconstruction of Diamond, Si, and Ge (001) SurfacesPhysical Review Letters, 1995
- Characterization of reconstructed SiC(100) surfaces using soft-x-ray photoemission spectroscopyApplied Physics Letters, 1995
- Structural and Electronic Properties of Clean and Hydrogenated Diamond (100) SurfacesEurophysics Letters, 1994
- Atomic structure of β-SiC( 100) surfaces: a study using the Tersoff potentialSurface Science, 1994
- Atomic layer epitaxy controlled by surface superstructures in SiCThin Solid Films, 1993
- The structure of the C(2 × 2) phase of the carbon terminated β-SiC(100) surfaceSurface Science, 1991
- Elemental composition of β-Sic(001) surface phases studied by medium energy ion scatteringSurface Science, 1990