{111}和(311)硅离子注入硅中的棒状缺陷

C. Chou, D. Cockayne, J. Zou, P. Kringhøj, C. Jagadish
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引用次数: 0

摘要

用透射电镜和分子动力学方法研究了硅离子注入硅中的棒状缺陷。本文介绍了这些缺陷的三个方面:(1)在原子计算模型的基础上,通过对实验图像和计算图像的匹配,确定了具有{111}习惯面的缺陷,并确定了这些缺陷的间隙性质。(2){311}习惯面缺陷具有复杂的高分辨电镜图像。这可以用Tan模型和Takeda模型沿间隙链共存来解释。为了将Tan模型转换为Takeda模型,需要进行键重构。重构的能垒约为1.5 eV。(3)通过分子动力学计算研究了间隙链形成的早期阶段,当两个间隙原子形成二聚体时,形成一个单位长度的Tan模型或Takeda模型的间隙链,在两端留下两个悬空键,促进其他间隙原子沿方向粘附在二聚体上。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
{111} and (311) rod-like defects in silicon ion implanted silicon
Rodlike defects in Si ion implanted Si have been studied by transmission electron microscopy and molecular dynamics calculations. Three aspects of these defects are presented here: (1) The defects with {111} habit planes have been identified and the interstitial nature of these defects has been confirmed by matching of the experimental and the calculated images based on the model established by atomistic calculations. (2) The defects with {311} habit planes have complicated high resolution electron microscopy images. This is explained by the coexistence of the Tan model and the Takeda model along an interstitial chain. A bond reconstruction is involved to transform the Tan model into the Takeda model. The energy barrier for this reconstruction is about 1.5 eV. (3) The early stage of the formation of a <011> interstitial chain has been studied by molecular dynamics calculations, when two interstitial atoms form a dimer an interstitial chain with a unit length of the Tan model or the Takeda model is formed, leaving two dangling bonds at two ends promoting other interstitial atoms to stick on to the dimer along the <011> direction.
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