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Geometry of the abrupt (110) Ge/GaAs interface

Swarts, C. A. and Goddard, W. A., III and McGill, T. C. (1981) Geometry of the abrupt (110) Ge/GaAs interface. Journal of Vacuum Science and Technology, 19 (3). pp. 551-555. ISSN 0022-5355. http://resolver.caltech.edu/CaltechAUTHORS:SWAjvst81a

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Abstract

We have studied the structure relaxation at the abrupt (110) Ge/GaAs interface by applying quantum chemical methods to clusters modeling this interface. Application of this model to bulk Ge and to bulk GaAs leads to theoretical Ge–Ge and Ga–As bond distances of 2.452 and 2.451 Å, respectively, in good agreement with the experimental values of 2.450 and 2.448 Å, respectively. Application of the model to the Ge/GaAs (110) interface indicates that this interface is nearly ideal. We find a very slight reconstruction at the interface leading to a Ge–Ga bond distance which is 0.04 Å longer than the Ge–As bond distance of 2.430 Å. The calculated spacing of the interface layer is 2.3% greater than that of bulk Ge or bulk GaAs.


Item Type:Article
Additional Information:© 1981 American Vacuum Society. (Received 9 March 1981; accepted 21 May 1981) Supported by the Office of Naval Research (Contract No. N00014-79-C-0797). Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 6398.
Subject Keywords:GERMANIUM; GALLIUM ARSENIDES; INTERFACES; RYSTAL STRUCTURE; RELAXATION; QUANTUM MECHANICS; SOLID CLUSTERS; BOND LENGTHS
Record Number:CaltechAUTHORS:SWAjvst81a
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:SWAjvst81a
Alternative URL:http://dx.doi.org/10.1116/1.571124
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:10420
Collection:CaltechAUTHORS
Deposited By: Archive Administrator
Deposited On:03 May 2008
Last Modified:26 Dec 2012 10:00

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