Ab Initio Studies of Ge Addimers on the Si(100) Surface
Journal Article
·
· International Journal of Quantum Chemistry
- ORNL
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 on the trough, in the middle of, and parallel to the substrate Si dimers. These results are consistent with recent experimental studies of the system using the scanning tunneling microscopy.
- Research Organization:
- ORNL Oak Ridge National Laboratory
- Sponsoring Organization:
- DOE
- DOE Contract Number:
- AC05-00OR22725
- OSTI ID:
- 820603
- Report Number(s):
- P00-106532
- Journal Information:
- International Journal of Quantum Chemistry, Journal Name: International Journal of Quantum Chemistry Journal Issue: 4-5 Vol. 80; ISSN IJQCB2; ISSN 0020-7608
- Country of Publication:
- United States
- Language:
- English
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