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

被引:7
|
作者
Marek, T [1 ]
Kunsági-Máté, S
Strunk, HP
机构
[1] Univ Erlangen Nurnberg, Inst Microcharacterisat, D-91058 Erlangen, Germany
[2] Univ Pecs, Dept Gen & Phys Chem, H-7601 Pecs, Hungary
关键词
D O I
10.1063/1.1352025
中图分类号
O59 [应用物理学];
学科分类号
摘要
Using the GAUSSIAN 94 program package on a Ga16As17H36 cluster, the interaction of an As-2 molecule approaching an As-terminated nonreconstructed GaAs(001) surface along the symmetry axis C-2 of the cluster is studied. To describe the interaction between As-2 molecule and cluster, the total energy of the system was calculated for various cluster As-2 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. (C) 2001 American Institute of Physics.
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收藏
页码:6519 / 6522
页数:4
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