Goddard, William A., III and Barton, John J. and Redondo, Antonio and McGill, T. C.
(1978)
Theoretical studies of Si and GaAs surfaces and initial steps in the oxidation.
Journal of Vacuum Science and Technology, 15
(4).
pp. 1274-1286.
ISSN 0022-5355.
https://resolver.caltech.edu/CaltechAUTHORS:20120727-154434637
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Abstract
Using ab initio quantum chemical methods (generalized valence bond), we examine (i) the electronic states of Si (111) and GaAs (110) surface, (ii) the relaxation of the Si (111) surface, (iii) the reconstruction of the GaAs surface, (iv) the initial steps in the chemisorption of O_2 on Si (111), and (v) the bonding of O atom to Ga and As centers.
| Item Type: | Article |
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| Additional Information: | © 1978 American Vacuum Society. Received 25 April 1978. The authors gratefully acknowledge useful discussions with
Professors W. E. Spicer, P. Mark, and R. S. Bauer. One of us
(TCM) would like to acknowledge the support of the Alfred
P. Sloan Foundation. This work (Contribution No. 5770) was
supported in part by a grant from the Director's Discretionary
Fund of the Jet Propulsion Laboratory and by a grant from
the National Science Foundation (DMR74-04965). |
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| Funders: | | Funding Agency | Grant Number |
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| Alfred P. Sloan Foundation | UNSPECIFIED | | JPL Director's Discretionary Fund | UNSPECIFIED | | NSF | DMR74-04965 |
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| Other Numbering System: | | Other Numbering System Name | Other Numbering System ID |
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| Caltech Arthur Amos Noyes Laboratory of Chemical Physics | 5770 | | WAG | 0120 |
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| Issue or Number: | 4 |
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| Classification Code: | PACS: 73.20.Cw, 82.65.-i, 73.20.-r, 82.65.+r |
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| Record Number: | CaltechAUTHORS:20120727-154434637 |
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| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20120727-154434637 |
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| Official Citation: | Theoretical studies of Si and GaAs surfaces and initial steps in the oxidation
William A. Goddard III, John J. Barton, Antonio Redondo, and T. C. McGill
J. Vac. Sci. Technol. 15, 1274 (1978); http://dx.doi.org/10.1116/1.569753 |
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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: | 32776 |
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| Collection: | CaltechAUTHORS |
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| Deposited By: |
Ruth Sustaita
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| Deposited On: | 30 Jul 2012 14:44 |
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| Last Modified: | 03 Oct 2019 04:03 |
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