Ab initio study of the epitaxial growth of Ge on Si(100) surface
Conference
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OSTI ID:10126393
- Oak Ridge National Lab., TN (United States)
- Cambridge Univ. (United Kingdom). Dept. of Physics
We identify the binding sites for adsorption of a single Ge atom on the Si(100) surface using ab initio total energy calculations. The calculated diffusion barriers are in excellent agreement with experimental estimates. Using a large supercell we resolve the controversy regarding the binding geometry and migration path for the adatom, and investigate the influence of the adatom on the buckling of Si dimers. The adatom induces a buckling defect that is frequently observed using scanning tunneling microscopy (STM); therefore the study of single adatoms may be experimentally accessible.
- Research Organization:
- Oak Ridge National Lab., TN (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- AC05-84OR21400
- OSTI ID:
- 10126393
- Report Number(s):
- CONF-931108-83; ON: DE94007245
- Resource Relation:
- Conference: Fall meeting of the Materials Research Society (MRS),Boston, MA (United States),29 Nov - 3 Dec 1993; Other Information: PBD: Nov 1993
- Country of Publication:
- United States
- Language:
- English
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Tue Dec 31 00:00:00 EST 1996
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OSTI ID:10126393