Chroneos, A.; Bracht, H.; Grimes, R. W. and Uberuaga, B. P.
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|DOI (Digital Object Identifier) Link:||http://doi.org/10.1063/1.2918842|
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Electronic structure calculations are used to predict the activation enthalpies of diffusion for a range of impurity atoms (aluminium, gallium, indium, silicon, tin, phosphorus, arsenic, and antimony) in germanium. Consistent with experimental studies, all the impurity atoms considered diffuse via their interaction with vacancies. Overall, the calculated diffusion activation enthalpies are in good agreement with the experimental results, with the exception of indium, where the most recent experimental study suggests a significantly higher activation enthalpy. Here, we predict that indium diffuses with an activation enthalpy of 2.79 eV, essentially the same as the value determined by early radiotracer studies.
|Item Type:||Journal Article|
|Copyright Holders:||2008 American Institute of Physics|
|Extra Information:||3 pp.|
|Academic Unit/Department:||Mathematics, Computing and Technology > Engineering & Innovation
Mathematics, Computing and Technology
|Depositing User:||Alexander Chroneos|
|Date Deposited:||31 Oct 2012 15:54|
|Last Modified:||24 Feb 2016 09:56|
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