A thermodynamic approach to self-diffusion in silicon: Evidence of a single diffusion mechanism?

V. Saltas, Alexander Chroneos, F. Vallianatos

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17 Citations (Scopus)


The self-diffusion in silicon is investigated in terms of the cBΩ thermodynamic model, which connects point defect parameters with the bulk elastic and expansion properties. The curved Arrhenius plot of the recently reported experimental data on self-diffusion in Si by Kube et al. [Phys. Rev. B 88 (2013) 085206] and by Bracht [Physica B 376–377 (2006) 11] which is associated with two mechanisms (vacancies and self-interstitials) can be explained, if the non-linear anharmonic behavior of the isothermal bulk modulus is considered over the entire temperature range of the available experimental data. The latter suggests the existence of a single diffusion mechanism, in contrast to experimental evidence, which in the frame of the cBΩ model exhibits temperature dependent thermodynamic properties. Indeed, the calculated point defect parameters (activation enthalpy, activation entropy and activation Gibbs free energy) exhibit considerable temperature dependence, with the activation enthalpy varying in a non-linear way from 3.6 eV to 4.9 eV, in agreement with the interpretation of the aforementioned experimental data.
Original languageEnglish
Pages (from-to)204-208
JournalMaterials Chemistry and Physics
Early online date16 Jun 2016
Publication statusPublished - 15 Sep 2016

Bibliographical note

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  • Semiconductors
  • Defects
  • Diffusion
  • Thermodynamic properties

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