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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.

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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

Item Type: Journal Article
Copyright Holders: 2008 American Institute of Physics
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/Department: Mathematics, Computing and Technology > Engineering & Innovation
Mathematics, Computing and Technology
Item ID: 35171
Depositing User: Alexander Chroneos
Date Deposited: 06 Nov 2012 09:50
Last Modified: 24 Feb 2016 15:00
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