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A first-principles model of copper-boron interactions in Si : for the light-induced degradation of solar Si
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- Wright, E. (author)
- Department of Physics and I3N, University of Aveiro, Campus Santiago
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- Coutinho, J. (author)
- Department of Physics and I3N, University of Aveiro, Campus Santiago
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- Öberg, Sven (author)
- Luleå tekniska universitet,Materialvetenskap
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- Institute of Physics (IOP), 2017
- 2017
- English.
- In: Journal of Physics. - : Institute of Physics (IOP). - 0953-8984 .- 1361-648X. ; 29:6
- Journal article (peer-reviewed)
Abstract
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- The recent discovery that Cu contamination of Si combined with light exposure has a significant detrimental impact on carrier life-time has drawn much concern within the solar-Si community. The effect, known as the copper-related light-induced degradation (Cu-LID) of Si solar cells, has been connected to the release of Cu interstitials within the bulk (2016 Sol. Energy Mater. Sol. Cells 147 115-26). In this paper, we describe a comprehensive analysis of the formation/dissociation process of the CuB pair in Si by means of first-principles modelling, as well as the interaction of CuB defects with photo-excited minority carriers. We confirm that the long-range interaction between the Cu-i(+) cation and the B-s(-) anion has a Coulomb-like behaviour, in line with the trapping-limited diffusivity of Cu observed by transient ion drift measurements. On the other hand, the short-range interaction between the d-electrons of Cu and the excess of negative charge on B-s(-) produces a repulsive effect, thereby decreasing the binding energy of the pair when compared to the ideal point-charge Coulomb model. We also find that metastable CuB pairs produce acceptor states just below the conduction band minimum, which arise from the Cu level emptied by the B acceptor. Based on these results, we argue that photo-generated minority carriers trapped by the metastable pairs can switch off the Coulomb interaction that holds the pairs together, enhancing the release of Cu interstitials, and acting as a catalyst for Cu-LID.
Subject headings
- NATURVETENSKAP -- Fysik -- Annan fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Other Physics Topics (hsv//eng)
Keyword
- Applied Physics
- Tillämpad fysik
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- ref (subject category)
- art (subject category)
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- Wright, E.
- Coutinho, J.
- Öberg, Sven
- Torres, V.J.B.
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- Luleå University of Technology
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