Model for the incorporation of excess arsenic into interstitial positions during the low-temperature growth of GaAs(001) layers

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Abstract

Using the GAUSSIAN 94 program package on a Ga16As17H36 cluster, the interaction of an As2 molecule approaching an As-terminated nonreconstructed GaAs(001) surface along the symmetry axis C2 of the cluster is studied. To describe the interaction between As2 molecule and cluster, the total energy of the system was calculated for various cluster As2 distances. The results show that the system (cluster plus molecule) has a stable conformation where one As atom resides at a tetrahedral interstitial site below the surface, i.e., inside the crystal. This result indicates the possibility of As incorporation by the particular process presented here.

Original languageEnglish
Pages (from-to)6519-6522
Number of pages4
JournalJournal of Applied Physics
Volume89
Issue number11 I
DOIs
Publication statusPublished - Jun 2001

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arsenic
interstitials
molecules
interactions
symmetry
crystals
atoms
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physics and Astronomy (miscellaneous)

Cite this

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title = "Model for the incorporation of excess arsenic into interstitial positions during the low-temperature growth of GaAs(001) layers",
abstract = "Using the GAUSSIAN 94 program package on a Ga16As17H36 cluster, the interaction of an As2 molecule approaching an As-terminated nonreconstructed GaAs(001) surface along the symmetry axis C2 of the cluster is studied. To describe the interaction between As2 molecule and cluster, the total energy of the system was calculated for various cluster As2 distances. The results show that the system (cluster plus molecule) has a stable conformation where one As atom resides at a tetrahedral interstitial site below the surface, i.e., inside the crystal. This result indicates the possibility of As incorporation by the particular process presented here.",
author = "T. Marek and S. Kuns{\'a}gi-M{\'a}t{\'e} and Strunk, {H. P.}",
year = "2001",
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T1 - Model for the incorporation of excess arsenic into interstitial positions during the low-temperature growth of GaAs(001) layers

AU - Marek, T.

AU - Kunsági-Máté, S.

AU - Strunk, H. P.

PY - 2001/6

Y1 - 2001/6

N2 - Using the GAUSSIAN 94 program package on a Ga16As17H36 cluster, the interaction of an As2 molecule approaching an As-terminated nonreconstructed GaAs(001) surface along the symmetry axis C2 of the cluster is studied. To describe the interaction between As2 molecule and cluster, the total energy of the system was calculated for various cluster As2 distances. The results show that the system (cluster plus molecule) has a stable conformation where one As atom resides at a tetrahedral interstitial site below the surface, i.e., inside the crystal. This result indicates the possibility of As incorporation by the particular process presented here.

AB - Using the GAUSSIAN 94 program package on a Ga16As17H36 cluster, the interaction of an As2 molecule approaching an As-terminated nonreconstructed GaAs(001) surface along the symmetry axis C2 of the cluster is studied. To describe the interaction between As2 molecule and cluster, the total energy of the system was calculated for various cluster As2 distances. The results show that the system (cluster plus molecule) has a stable conformation where one As atom resides at a tetrahedral interstitial site below the surface, i.e., inside the crystal. This result indicates the possibility of As incorporation by the particular process presented here.

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SN - 0021-8979

IS - 11 I

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