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

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

2011-02-10

arxiv.org/abs/1102.2111v1

Physics

Condensed Matter

Materials Science

12 pages, 7 figures, submitted to PRB

Scientific paper

We present density functional theory (DFT) calculations for 6H-SiC$\{0001\}$ surfaces with different surface stackings and terminations. We compare the relative stability of different $(0001)$ and $(000\bar1)$ 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-equivalent surface orientations. At $(0001)$, a chemically bonded, highly strained and buckled film is predicted. At $(000\bar1)$, a van der Waals (vdW) bonded overlayer is preferred. We quantify the vdW binding and show that it can have a doping effect on electron behavior in the overlayer.

Affiliated with

Also associated with

No associations

Rating

Relative stability of $6H$-SiC$\{0001\}$ surface terminations and formation of graphene overlayers by Si evaporation does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Relative stability of $6H$-SiC$\{0001\}$ surface terminations and formation of graphene overlayers by Si evaporation, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Relative stability of $6H$-SiC$\{0001\}$ surface terminations and formation of graphene overlayers by Si evaporation will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-694412