Journal
PHYSICAL REVIEW B
Volume 62, Issue 8, Pages R4794-R4797Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.62.R4794
Keywords
-
Ask authors/readers for more resources
We investigated the structure and bonding of carbon atomic lines on the beta-SiC(001) surface, using ab initio calculations. In agreement with experiment, we find that reconstructions with sp-bonded chains are energetically favored over those with sp(3)-like C bonds. However the energy difference between the two types of reconstructions is only a few meV/dimer, and for small applied compressive stress geometries with sp(3)-bonded sites become favored, in addition, the formation energy of sp(3)-like defects on a sp-bonded surface decreases rapidly with increasing defect concentration, pointing at stable sp(3) lines perpendicular to sp dimers, consistently with experiment. A mechanism is proposed for the recently observed sp --> sp(3) transition on carbon terminated beta-SiC(001) surfaces.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available