Published January 1980
| Version Published
Journal Article
Open
Chemisorption of oxygen and aluminum on the GaAs (110) surface from ab initio theory
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1.
California Institute of Technology
Abstract
We have applied quantum chemical methods to the structure of the clean GaAs (110) surface and the chemisorption of oxygen and aluminum. We find that results for small clusters give geometries for the clean surface in agreement with those observed experimentally. We propose that an intermediate stage of oxidation would exist in which the O atom binds to a surface As. Our studies indicate that the initial site for Al chemisorbed on GaAs (110) has the Al bonded to the surface Ga. Geometries and chemical shifts are reported for both O and Al on GaAs (110). The chemical shifts are in agreement with recent experimental results.
Additional Information
© 1980 American Vacuum Society Received 2 November 1979, accepted 20 December 1979 This work was supported in part by a grant from the National Science Foundation (No. DMR 74-04965) and the Director's Discretionary Fund of the Jet Propulsion Laboratory. Arthur Amos Noyes Laboratory of Chemical Physics Contribution No. 6135Attached Files
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Additional details
Identifiers
- Eprint ID
- 2571
- Resolver ID
- CaltechAUTHORS:BARjvst80
Funding
- NSF
- DMR 74-04965
- JPL Director's Discretionary Fund
Dates
- Created
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2006-04-10Created from EPrint's datestamp field
- Updated
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2021-11-08Created from EPrint's last_modified field
Caltech Custom Metadata
- Other Numbering System Name
- Arthur Amos Noyes Laboratory of Chemical Physics
- Other Numbering System Identifier
- 6135