The vacancy in silicon: a critical evaluation of experimental and theoretical results

Bracht, Hartmut and Chroneos, Alexander (2008). The vacancy in silicon: a critical evaluation of experimental and theoretical results. Journal of Applied Physics, 104(7), article no. 076108.

DOI: https://doi.org/10.1063/1.2996284

Abstract

Recent experimental studies of Shimizu [Phys. Rev. Lett. 98, 095901 (2007)] revealed an activation enthalpy of 3.6 eV for the vacancy contribution to Si self-diffusion. Although this value seems to be in accurate agreement with recent theoretical results, it is at variance with experiments on vacancy-mediated dopant diffusion in Si. In the present study we review results from electronic structure calculations and conclude that the calculations are consistent with an activation enthalpy of 4.5-4.6 eV rather than 3.6 eV for the vacancy contribution to self-diffusion. Moreover, our calculations predict activation enthalpies of 4.45 and 3.81 eV for the vacancy-mediated diffusion of phosphorus and antimony, respectively, in good agreement with the most recent experimental results. (C) 2008 American Institute of Physics

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• Item ORO ID
• 35171
• Item Type
• Journal Item
• ISSN
• 0021-8979
• Extra Information
• This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
• Academic Unit or School
• Faculty of Science, Technology, Engineering and Mathematics (STEM) > Engineering and Innovation
  Faculty of Science, Technology, Engineering and Mathematics (STEM)
• Copyright Holders
• © 2008 American Institute of Physics
• Depositing User
• Alexander Chroneos