A density functional study of iron segregation at ISFs and Sigma-5-(001) GBs in mc-Si

  1. Lookup NU author(s)
  2. Oras Al-Ani
  3. Dr Jon Goss
  4. Professor Nick Cowern
  5. Professor Patrick Briddon
  6. Meaad Al-Hadidi
  7. Raied Al-Hamadany
  8. Dr Mark Rayson
Author(s)Al-Ani OA, Goss JP, Cowern NEB, Briddon PR, Al-Hadidi M, Al-Hamadany R, Rayson MJ
Publication type Article
JournalSolid State Phenomena
ISSN (print)1012-0394
ISSN (electronic)1662-9779
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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.
PublisherTrans Tech Publications
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