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Cluster Model Study of the Incorporation Process of Excess Arsenic into Interstitial Positions of the GaAs Lattice

Published online by Cambridge University Press:  10 February 2011

T. Marek ,
S. Kunsági-Máté  and
H. P. Strunk
T. Marek
Affiliation:
Institute for Microcharacterisation, Friedrich-Alexander-University Erlangen-Nuremberg, 91058 Erlangen, Germany
S. Kunsági-Máté
Affiliation:
Institute for General and Physical Chemistry, Janus Pannonius University, 7601Pécs, Hungary
H. P. Strunk
Affiliation:
Institute for Microcharacterisation, Friedrich-Alexander-University Erlangen-Nuremberg, 91058 Erlangen, Germany
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Abstract

We study an As2 molecule approaching a planar, non-reconstructed, As terminated GaAs(001) surface by using a suitable cluster and quantum mechanical ab-initio calculation methods. During our calculations the As2 molecule is always oriented perpendicularly to the surface and its bonding length may vary. We find a metastable position below the growing surface which facilitates the incorporation of the leading As atom into an interstitial position of the crystal during growth. We give a first model for this incorporation process.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 584 , 1999 , 233
Copyright
Copyright © Materials Research Society 2000

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