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A density functional study of iron segregation at ISFs and Sigma-5-(001) GBs in mc-Si
Lookup NU author(s)
Dr Jon Goss
Professor Nick Cowern
Professor Patrick Briddon
Dr Mark Rayson
Al-Ani OA, Goss JP, Cowern NEB, Briddon PR, Al-Hadidi M, Al-Hamadany R, Rayson MJ
Solid State Phenomena
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Removal of the dilaterous effects of iron in silicon is critical for the performance of multicrystalline silicon (mc-Si) solar cells, with internal gettering at extended defects including stacking faults and grain boundaries being one possibility. We present the results of a dehttp://dx.doi.org/10.4028/www.scientific.net/SSP.242.224nsity function study of the behaviour of iron at the intrinsic stacking fault and (001)-Σ5 twist grain boundary, which both represent examples of fully bonded systems. Our results show iron is bound more strongly to the grain-boundary than the stacking fault, which we ascribe to a combination of Si-Fe chemistry and strain relaxation. However, we find that the binding energy of a single Fe atom to these extended defects is modest, and less than 0.5 eV.
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