• Corpus ID: 118191304

Relative stability of $6H$-SiC$\{0001\}$ surface terminations and formation of graphene overlayers by Si evaporation

@article{Rohrer2010RelativeSO,
  title={Relative stability of \$6H\$-SiC\$\\{0001\\}\$ surface terminations and formation of graphene overlayers by Si evaporation},
  author={Jochen Rohrer and Eleni Ziambaras and Per Hyldgaard},
  journal={arXiv: Materials Science},
  year={2010}
}
We present density functional theory (DFT) calculations for 6H-SiC{0001} surfaces with different surface stackings, terminations and reconstructions. We compare the relative stability of different (0001) and different (000-1) surfaces in terms of their surface free energies. Removing surface and subsurface Si atoms, we simulate the formation of graphene and graphene-like overlayers by Si evaporation. We find that overlayers with a different nature of bonding are preferred at the two non… 
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