Chroneos, A.; Grimes, R. W. and Bracht, H.
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|DOI (Digital Object Identifier) Link:||http://doi.org/10.1063/1.3056387|
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Recent density functional theory calculations by Chen et al. [J. Appl. Phys. 103, 123519 (2008)] revealed that vacancies (V) tend to accumulate around germanium (Ge) atoms in Ge-doped silicon (Si) to form GeVn clusters. In the present study, we employ similar electronic structure calculations to predict the binding energies of GeVn and Vn clusters containing up to four V. It is verified that V are strongly attracted to pre-existing GeVn clusters. Nevertheless, by comparing with the stability of Vn clusters, we predict that the Ge contribution to the binding energy of the GeVn clusters is limited. We use mass action analysis to quantify the relative concentrations of GeVn and Vn clusters over a wide temperature range: Vn clusters dominate in Ge-doped Si under realistic conditions.
|Item Type:||Journal Article|
|Copyright Holders:||2009 American Institute of Physics|
|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
|Depositing User:||Alexander Chroneos|
|Date Deposited:||07 Nov 2012 12:51|
|Last Modified:||25 Feb 2016 04:58|
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