ADATOMS AND VACANCIES ON THE DIAMOND(111) SURFACE

Authors
BECHSTEDT F SCHMIDT WG SCHOLZE A
Citation
F. Bechstedt et al., ADATOMS AND VACANCIES ON THE DIAMOND(111) SURFACE, Europhysics letters, 35(8), 1996, pp. 585-590
Citations number
16
Categorie Soggetti
Physics
Journal title
Europhysics letters → ACNP
ISSN journal
02955075
Volume
35
Issue
8
Year of publication
1996
Pages
585 - 590
Database
ISI
SICI code
0295-5075(1996)35:8<585:AAVOTD>2.0.ZU;2-5
Abstract
First-principles total-energy and band-structure calculations are perf ormed for a series of 2x2 adatom structures and vacancies on the diamo nd(111) surface. The optimized geometries are related to band structur es with narrow or vanishing gaps. In contrast to silicon and germanium , we find that adatoms and vacancies on the diamond surface are energe tically less favourable than the relaxed unreconstructed surface.