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Quantum mechanical modelling of defects in semiconductors

Lookup NU author(s): Professor Patrick Briddon

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Abstract

The theoretical basis of density functional pseudopotential methods for determining the properties of defects in semiconductors is given. The formalism is applied to a single illustrative defect, the carbon interstitial in silicon, which has been identified by electron paramagnetic resonance, vibrational mode spectroscopy, photoluminescence and deep-level transient spectroscopy. The theory is shown to largely account for the properties of the defect.


Publication metadata

Author(s): Jones R, Coomer BJ, Briddon PR

Publication type: Article

Publication status: Published

Journal: Journal of Physics: Condensed Matter

Year: 2004

Volume: 16

Issue: 27

Pages: S2643-S2657

ISSN (print): 0953-8984

ISSN (electronic): 1361-648X

Publisher: Institute of Physics Publishing Ltd

URL: http://dx.doi.org/10.1088/0953-8984/16/27/004

DOI: 10.1088/0953-8984/16/27/004


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