| Issue |
Europhys. Lett.
Volume 35, Number 8, September II 1996
|
|
|---|---|---|
| Page(s) | 585 - 590 | |
| Section | Condensed matter: structure, thermal and mechanical properties | |
| DOI | https://doi.org/10.1209/epl/i1996-00155-0 | |
| Published online | 01 September 2002 | |
Adatoms and vacancies on the diamond(111) surface
Friedrich-Schiller-Universität, Institut für
Festkörpertheorie und Theoretische Optik,
Max-Wien-Platz 1, 07743 Jena, Germany
Received:
15
March
1996
Accepted:
25
July
1996
First-principles total-energy and band-structure calculations are performed
for a series of 
adatom structures and vacancies on the diamond(111)
surface.
The optimized geometries are related to
band structures with narrow or vanishing gaps.
In contrast to silicon and germanium, we find that adatoms and vacancies
on the diamond surface are energetically less favourable than the
relaxed unreconstructed surface.
PACS: 68.35.-p – Solid surfaces and solid-solid interfaces / 73.20.At – Surface states, band structure, electron density of states
© EDP Sciences, 1996
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