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Theoretical studies of the reconstruction of the (110) surface of III–V and II–VI semiconductor compounds

Swarts, C. A. and Goddard, W. A., III and McGill, T. C. (1980) Theoretical studies of the reconstruction of the (110) surface of III–V and II–VI semiconductor compounds. Journal of Vacuum Science and Technology, 17 (5). pp. 982-986. ISSN 0022-5355. http://resolver.caltech.edu/CaltechAUTHORS:SWAjvst80a

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Abstract

We have studied the reconstruction of the (110) surface of various III–V semiconductor compounds (GaAs, GaP, GaN, AlAs, AlP, AlN, BAs, BP, BN) by applying quantum chemical methods to small clusters representative of these surfaces. Application of these techniques to GaAs (110) leads to a surface shear (0.67 Å) in excellent agreement with experimental values (0.65–0.70 Å). The results lead to trends in the surface distortions and reconstruction consistent with those predicted from local valence considerations. Possibilities for the electronic structure of II–VI semiconductor compounds are also considered.


Item Type:Article
Additional Information:© 1981 American Vacuum Society. (Received 20 March 1980; accepted 14 May 1980) 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. [C.A.S. was an] IBM Postdoctoral Research Fellow. Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 6191.
Subject Keywords:SEMICONDUCTOR MATERIALS; SURFACE; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; QUANTUM CHEMISTRY; GALLIUM ARSENIDES; GALLIUM PHOSPHIDES; GALLIUM NITRIDES; SHEAR; VALENCE; ENERGY; VARIATIONAL METHODS
Record Number:CaltechAUTHORS:SWAjvst80a
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:SWAjvst80a
Alternative URL:http://dx.doi.org/10.1116/1.570652
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:10422
Collection:CaltechAUTHORS
Deposited By: Archive Administrator
Deposited On:03 May 2008
Last Modified:26 Dec 2012 10:00

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