The atomic and electronic structures of Ge dimers adsorbed on top of a Si(100) flat surface has been investigated by first-principles molecular dynamics method. Four high-symmetry configurations have been considered and thoroughly relaxed. The most stable configuration for Ge dimers is found to be o
Ab initio study of epitaxial growth on stepped Si(100) surface
β Scribed by V. Milman
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 172 KB
- Volume
- 61
- Category
- Article
- ISSN
- 0020-7608
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β¦ Synopsis
Diffusion of a Si adatom over the reconstructed Si 100 surface with a single-height step on it is studied using the pseudopotential total energy method. The S rebonded step is B shown to act as a good sink for adatoms descending onto the lower ledge. This is due to the presence of deep traps on the lower terrace and to the negative EhrlichαSchwoebel Ε½ barrier the activation barrier for descent from the edge is 0.23 eV lower than for the . motion on a flat surface . The diffusion characteristics of the adatom on both terraces are virtually unaffected by the presence of the step. However, the dimer buckling sequence on a lower terrace is strongly dependent on the position of the adatom along the diffusion path.
π SIMILAR VOLUMES
Molecular beam epitaxy was used to grow MnF 2 films on a Si(111) substrate with a thin CaF 2 buffer at room temperature. It was found that films thinner than three molecular layers have a cubic fluorite crystal structure inherited from CaF 2 . The MnF 2 film is coherent to the substrate and has an i