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Modeling and experimental characterization of stepped and v-shaped {311} defects in silicon

L. A. Marqués, M. Aboy, K. J. Dudeck, G. A. Botton, A. P. Knights and R. M. Gwilliam

Journal of Applied Physics 115, 143514 (2014)

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Abstract:

We propose an atomistic model to describe extended {311} defects in silicon. It is based on the combination of interstitial and bond defect chains. The model is able to accurately reproduce not only planar {311} defects but also defect structures that show steps, bends, or both. We use molecular dynamics techniques to show that these interstitial and bond defect chains spontaneously transform into extended {311} defects. Simulations are validated by comparing with precise experimental measurements on actual {311} defects. The excellent agreement between the simulated and experimentally derived structures, regarding individual atomic positions and shape of the distinct structural {311} defect units, provides strong evidence for the robustness of the proposed model.

DOI: 10.1063/1.4871538

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Funded by:

• TEC2011-27701: Bringing radiation induced defects to macroscopic effects through multiscale modeling,
  

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