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Phosphorous-vacancy-oxygen defects in silicon

Wang, Hao; Chroneos, Alexander; Hall, David; Sgourou, Efi and Schwingenschlogl, Udo (2013). Phosphorous-vacancy-oxygen defects in silicon. Journal of Materials Chemistry A, 1(37) pp. 11384–11388.

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Electronic structure calculations employing the hybrid functional approach are used to gain fundamental insight in the interaction of phosphorous with oxygen interstitials and vacancies in silicon. It recently has been proposed, based on a binding energy analysis, that phosphorous-vacancy-oxygen defects may form. In the present study we investigate the stability of this defect as a function of the Fermi energy for the possible charge states. Spin polarization is found to be essential for the charge neutral defect.

Item Type: Journal Item
Copyright Holders: 2013 The Royal Society of Chemistry
ISSN: 2050-7488
Academic Unit/School: Faculty of Science, Technology, Engineering and Mathematics (STEM) > Engineering and Innovation
Faculty of Science, Technology, Engineering and Mathematics (STEM)
Faculty of Science, Technology, Engineering and Mathematics (STEM) > Physical Sciences
Research Group: Centre for Electronic Imaging (CEI)
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Item ID: 38074
Depositing User: David Hall
Date Deposited: 31 Jul 2013 12:19
Last Modified: 27 Mar 2019 13:32
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