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A first-principles model of copper-boron interactions in Si: for the light-induced degradation of solar Si
Department of Physics and I3N, University of Aveiro, Campus Santiago.
Department of Physics and I3N, University of Aveiro, Campus Santiago.
Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap.ORCID-id: 0000-0002-0292-1159
Department of Physics and I3N, University of Aveiro, Campus Santiago.
Antal upphovsmän: 42017 (Engelska)Ingår i: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 29, nr 6, artikel-id 065701Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

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.

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Institute of Physics (IOP), 2017. Vol. 29, nr 6, artikel-id 065701
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URN: urn:nbn:se:ltu:diva-61817DOI: 10.1088/1361-648X/aa4d78ISI: 000391564700001Scopus ID: 2-s2.0-85011968739OAI: oai:DiVA.org:ltu-61817DiVA, id: diva2:1071235
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Validerad; 2017; Nivå 2; 2017-02-03 (andbra)

Tillgänglig från: 2017-02-03 Skapad: 2017-02-03 Senast uppdaterad: 2018-11-16Bibliografiskt granskad

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