Volume 62, Number 4, May 2003
|Page(s)||547 - 553|
|Section||Condensed matter: structure, mechanical and thermal properties|
|Published online||01 May 2003|
Strain-induced surface structures on -covered : Epitaxial films on
Institut für Festkörperforschung, Forschungszentrum Jülich
D-52425 Jülich, Germany
2 Department of Physics and Astronomy, Rutgers University Piscataway, NJ 08854-8019, USA
3 Department of Physics, Zhejiang University - Hangzhou 310027, PRC
4 Institut für Schichten und Grenzflächen, Forschungszentrum Jülich D-52425 Jülich, Germany
Accepted: 10 March 2003
STM images of surface structures of an -covered film growing on : are presented, showing the () structure on :, a () structure consisting of hexagons with a size of 40 with triangular subunits of () structure for the three-monolayer film, and a () -structure for the thick relaxed film. Using an ab initio total energy and force method, we have investigated the stability of the different structures of :(1) as a function of the lateral lattice constant. We find that the () chain-reconstruction of : has a range of stability between about 5.5% compression and 1% expansion. For larger dilatations the () structure becomes stable, for larger compressions the T4 () structure does. The observed () structure on top of the hexagons can be explained by an 8% dilatation of the surface (compared to bulk) due to the stress exerted by the atoms on the film and at the rim of the finite hexagons.
PACS: 68.43.Bc – Ab initio calculations of adsorbate structure and reactions / 68.37.Ef – Scanning tunneling microscopy (including chemistry induced with STM) / 81.15.-z – Methods of deposition of films and coatings; film growth and epitaxy
© EDP Sciences, 2003
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