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Energetics and Relaxations of Adatom, Dopant and Vacancy Related Complexes on Normal and Strained GaAs(001) Surface

Published online by Cambridge University Press:  28 February 2011

S.B. Ogale ,
A. Madhukar  and
R. Viswanathan
S.B. Ogale
Affiliation:
Department of Physics, University of Poona, Pune, INDIA Department of Materials Science and Physics, University of Southern California, Los Angeles, CA 90089-0241;
A. Madhukar
Affiliation:
Department of Materials Science and Physics, University of Southern California, Los Angeles, CA 90089-0241;
R. Viswanathan
Affiliation:
Department of Physics, University of Poona, Pune, INDIA
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Abstract

Surface complexes involving Ga and Si adatoms, Si dopant and As vacancies at the GaAs (001) surface are examined for their energetics and associated structural relaxations by employing semi-empirical two- and three-body potential energy functions. The energy minimization is achieved via the simulated annealing Monte carlo procedure. An 8 X 8 X 8 GaAs matrix is used with periodic boundary conditions in the lateral plane. The adatom, dopant or vacancy is added to the system after allowing the top two surface layers to reconstruct into a c (2 × 2) pattern. The suitably chosen neighborhood of the modified site is then allowed to relax to a minimum energy configuration. The complexes are studied for both the unstrained and strained surfaces.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 160 , 1989 , 433
Copyright
Copyright © Materials Research Society 1990

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References

References:

1 See, for example, Madhukar, A. and Ghaisas, S.V., CRC Critical Reviews in Solid State and Materials Sciences, Ed. Greene, J.E., (CRC Press, Boca Raton, Florida, U.S.A.), Vol. 14, p.1 (1988).Google Scholar
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