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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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.
|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|
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|Deposited By:||Archive Administrator|
|Deposited On:||03 May 2008|
|Last Modified:||26 Dec 2012 10:00|
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