Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Relative stability of $6H$-SiC$\{0001\}$ surface terminations and
  formation of graphene overlayers by Si evaporation   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.

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The categories of this paper are: alg-geom
13
The categories of this paper are: quant-ph
33
The categories of this paper are: plasm-ph
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The categories of this paper are: comp-gas
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The categories of this paper are: chem-ph
10
The categories of this paper are: q-bio
18
The categories of this paper are: econ
35
The categories of this paper are: mtrl-th
8
The categories of this paper are: hep-ex
9
The categories of this paper are: nlin
6
The categories of this paper are: astro-ph
5
The categories of this paper are: gr-qc
15
The categories of this paper are: nucl-ex
1
The categories of this paper are: cs
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The categories of this paper are: eess
23
The categories of this paper are: solv-int