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Structural transformations from point to extended defects in silicon: A molecular dynamics study

L. A. Marqués, L. Pelaz, I. Santos, P. López and M. Aboy

Physical Review B 78, 193201 (2008)

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Abstract:

We use classical molecular dynamics simulation techniques to study how point defects aggregate to form extended defects in silicon. We have found that ⟨110⟩ chains of alternating interstitials and bond defects, a generalization of the Si di-interstitial structure, are metastable at room temperature but spontaneously transform into {311} defects when annealed at higher temperatures. Obtained atomic configurations and energetics are in good agreement with experiments and previous theoretical calculations. We have found a {311} structural unit which consists of two interstitial chains along ⟨110⟩ but arranged differently with respect to the known {311} units.

DOI: 10.1103/PhysRevB.78.193201

PDF: Structural transformations from point to extended defects in silicon: A molecular dynamics study

Funded by:

• TEC2005-05101: Modeling and characterization of fabrication processes for next CMOS generations,
  

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