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Theoretical study of dislocation nucleation from simple surface defects in semiconductors

机译:简单表面缺陷位错成核的理论研究   在半导体中

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摘要

Large-scale atomistic calculations, using empirical potentials for modelingsemiconductors, have been performed on a stressed system with linear surfacedefects like steps. Although the elastic limits of systems with surface defectsremain close to the theoretical strength, the results show that these defectsweaken the atomic structure, initializing plastic deformations, in particulardislocations. The character of the dislocation nucleated can be predictedconsidering both the resolved shear stress related to the applied stressorientation and the Peierls stress. At low temperature, only glide events inthe shuffle set planes are observed. Then they progressively disappear and arereplaced by amorphization/melting zones at a temperature higher than 900 K.
机译:使用经验电势对半导体进行建模的大规模原子计算已在具有线性表面缺陷(如台阶)的受力系统上执行。尽管具有表面缺陷的体系的弹性极限仍然接近理论强度,但结果表明,这些缺陷削弱了原子结构,从而引发了塑性变形,尤其是位错。可以考虑与所施加的应力取向相关的解析剪切应力和佩尔应力来预测位错形核的特征。在低温下,仅在混洗设定平面上观察到滑行事件。然后它们逐渐消失,并在高于900 K的温度下被非晶化/熔化区所取代。

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