Chroneos, A.; Grimes, R. W.; Bracht, H. and Uberuaga, B. P.
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|DOI (Digital Object Identifier) Link:||http://doi.org/10.1063/1.3035847|
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In germanium, donor atoms migrate or form larger immobile clusters via their interaction with lattice vacancies. By engineering the concentration of free vacancies, it is possible to control the diffusion of the donor atoms and the formation of those larger clusters that lead to the deactivation of a significant proportion of the donor atoms. Electronic structure calculations in conjunction with mass action analysis are used to predict the concentrations of free vacancies and deactivated donor atoms in germanium doped with different proportions of arsenic and phosphorous. We find, for example, that at low temperatures, the concentration of free vacancies is partially suppressed by increasing the proportion of arsenic doping, whereas at high temperatures (above 1000 K), the concentration of free vacancies is relatively constant irrespective of the donor species. It is predicted that the free vacancy and active donor concentrations vary linearly with the arsenic to phosphorous ratio across a wide range of temperatures.
|Item Type:||Journal Article|
|Copyright Holders:||2008 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.|
|Keywords:||arsenic; density functional theory; diffusion; electronic structure; elemental semiconductors; germanium; high-temperature effects; phosphorus; semiconductor doping; vacancies (crystal)|
|Academic Unit/Department:||Mathematics, Computing and Technology > Engineering & Innovation
Mathematics, Computing and Technology
|Depositing User:||Alexander Chroneos|
|Date Deposited:||07 Nov 2012 12:00|
|Last Modified:||24 Feb 2016 10:25|
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