Swarts, C. A. and Barton, J. J. and Goddard, W. A., III and McGill, T. C.
(1980)
Chemisorption of Al and Ga on the GaAs (110) surface.
Journal of Vacuum Science and Technology, 17
(5).
pp. 869-873.
ISSN 0022-5355.
doi:10.1116/1.570607.
https://resolver.caltech.edu/CaltechAUTHORS:SWAjvst80b
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Abstract
We have studied the initial stages of the chemisorption of Al and Ga on the clean GaAs (110) surface by applying quantum chemical methods to small clusters representing Al or Ga on GaAs (110). These calculations suggest that at smallest coverages Al or Ga bind to a surface Ga atom; for higher coverages Al and the surface Ga interchange positions. We have obtained the binding energy, the chemical shifts of the Ga–3d, As–3d and Al–2p states, and the microscopic dipole associated with chemisorption of Al or Ga on GaAs (110). These results are compared to experimental values and further experiments are suggested.
| Item Type: | Article |
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| Additional Information: | © 1980 American Vacuum Society.
Received 1 April 1980; accepted 20 May 1980.
The authors have profitted from numerous discussions with R.S. Bauer and W.E. Spicer about the experimental data.
This work was supported in part by a grant from the National Science Foundation (Grant No. DMR74-04965) and in part by the Office of Naval Research (Contract No. N00014-79-C-0797).
[C.A.S. was an] IBM Postdoctoral Research Fellow.
Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 6197. |
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| Funders: | | Funding Agency | Grant Number |
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| National Science Foundation | DMR74-04965 | | Office of Naval Research | N00014-79-C-0797 |
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| Subject Keywords: | CHEMISORPTION, GALLIUM ARSENIDES, SURFACES, QUANTUM CHEMISTRY, BINDING ENERGY, CHEMICAL SHIFT, ELECTRONICS STRUCTURE, INTERFACES, BINDING ENERGY, VARIATIONAL METHODS, HARTREE–FOCK METHOD |
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| Other Numbering System: | | Other Numbering System Name | Other Numbering System ID |
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| Arthur Amos Noyes Laboratory of Chemical Physics | 6197 | | WAG | 0142 |
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| Issue or Number: | 5 |
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| DOI: | 10.1116/1.570607 |
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| Record Number: | CaltechAUTHORS:SWAjvst80b |
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| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:SWAjvst80b |
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| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. |
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| ID Code: | 12172 |
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| Collection: | CaltechAUTHORS |
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| Deposited By: |
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| Deposited On: | 28 Oct 2008 01:28 |
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| Last Modified: | 08 Nov 2021 22:26 |
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