Reaction pathway analysis for dislocation nucleation from a sharp corner in silicon: Glide set versus shuffle set
Reaction pathway analysis for dislocation nucleation from a sharp corner in silicon: Glide set versus shuffle set
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DOI：
10.1063/1.3486465
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发表时间：
2010-09-15
影响因子：
3.2
通讯作者：
Sakai, Shinsuke
中科院分区：
文献类型：
--
作者：
Shima, Koichi;Izumi, Satoshi;Sakai, Shinsuke
使用反应路径采样，我们研究了硅尖角的洗牌集和滑移集位错成核的活化能的剪切应力依赖性。滑移组位错曲线的梯度低于混排位错，滑移组位错的无热应力远高于混排位错。因此，两条曲线有一个交叉点，这意味着混排位错可能在高应力和低温下成核，而滑移位错可能在低应力和高温下成核。我们的结果清楚地解释了不同温度和应力状态下这两种位错成核的最新分子动力学机制。随着滑移面压应力的增加，滑移集位错形核的活化能大大降低，而滑移集位错形核的活化能略有增加。这可以解释为什么在压应力场下会发现洗牌位错。 (C) 2010 年美国物理研究所。 [doi:10.1063/1.3486465]
Using reaction pathway sampling, we have investigated the shear stress dependences of the activation energies of shuffle-set and glide-set dislocation nucleation from a sharp corner in silicon. The gradient of the glide-set dislocation curve is lower than that of the shuffle-set dislocation, and the athermal stress of glide-set dislocation is largely higher than that of shuffle-set dislocation. As a result, the two curves have a cross point, which means that shuffle-set dislocation is likely nucleated at high stress and low temperature and glide-set dislocation is likely nucleated at low stress and high temperature. Our result clearly explains the mechanism of recent molecular dynamics on these two types of dislocation nucleation at different temperatures and stress regimes. With increased compressive stress on the slip plane, the activation energy of the shuffle-set dislocation nucleation is greatly decreased, while that of glide-set dislocation nucleation is slightly increased. That would explain why shuffle-set dislocations were found under compressive stress fields. (C) 2010 American Institute of Physics. [doi:10.1063/1.3486465]