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Dopant-vacancy cluster formation in germanium

Chroneos, A. (2010). Dopant-vacancy cluster formation in germanium. Journal of Applied Physics, 107(7) article 076102.

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URL: http://jap.aip.org/resource/1/japiau/v107/i7/p0761...
DOI (Digital Object Identifier) Link: http://dx.doi.org/10.1063/1.3361115
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Abstract

Recent experimental and theoretical studies revealed that dopants in germanium (Ge) cluster with lattice vacancies (V). The existence of these larger clusters has been recently predicted and is important as they can contribute to the low activation of dopants in Ge. With the use of electronic structure calculations we study the binding energies of clusters formed with the association of dopant atoms and vacancies. As an example of the kinetics of such clusters the diffusion of two phosporous-vacancy (P2V) clusters via the ring mechanism of diffusion in predicted. These P2 clusters are important as they can act as precursors for the formation of the larger P3V and P4V clusters. The present study provides information on the structure of clusters and is consistent with recent experimental results, which indicate that the formation of clusters in heavily doped Ge is possible. In agreement with experiment, we predict that the diffusion of P V pairs is retarded by the addition of a further P atom.

Item Type: Journal Article
Copyright Holders: 2010 American Institute of Physics
ISSN: 1089-7550
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: association; binding energy; diffusion; electronic structure; elemental semiconductors; germanium; impurity-vacancy interactions; semiconductor doping
Academic Unit/Department: Mathematics, Computing and Technology > Engineering & Innovation
Item ID: 35197
Depositing User: Alexander Chroneos
Date Deposited: 07 Nov 2012 15:51
Last Modified: 24 Apr 2013 17:13
URI: http://oro.open.ac.uk/id/eprint/35197
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