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Theoretical studies of Si and GaAs surfaces and initial steps in the oxidation

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. http://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
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1116/1.569753DOIUNSPECIFIED
http://avspublications.org/jvst/resource/1/jvstal/v15/i4/p1274_s1PublisherUNSPECIFIED
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).
Funders:
Funding AgencyGrant Number
Alfred P. Sloan FoundationUNSPECIFIED
JPL Director's Discretionary FundUNSPECIFIED
NSFDMR74-04965
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Caltech Arthur Amos Noyes Laboratory of Chemical Physics5770
Classification Code:PACS: 73.20.Cw, 82.65.-i, 73.20.-r, 82.65.+r
Record Number:CaltechAUTHORS:20120727-154434637
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20120727-154434637
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
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:32776
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:30 Jul 2012 14:44
Last Modified:26 Dec 2012 15:45

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