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.
引用
收藏
页码:6519 / 6522
页数:4
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