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HomeSolid State PhenomenaSolid State Phenomena Vol. 242A Density Functional Study of Iron Segregation at...

A Density Functional Study of Iron Segregation at ISFs and Σ5-(001) GBs in mc-Si

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Abstract:

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 density function study of the behavoiur of iron at the intrinsic stacking fault and (001)–Σ 5 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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Periodical:

Solid State Phenomena (Volume 242)

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224-229

DOI:

https://doi.org/10.4028/www.scientific.net/SSP.242.224

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Online since:

October 2015

Authors:

Oras A. Al-Ani, J.P. Goss, N.E.B. Cowern, Patrick R. Briddon, Meaad Al-Hadidi, Raied Al-Hamadany, M.J. Rayson

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Grain Boundaries, Iron Impurity, Segregation, Silicon

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© 2016 Trans Tech Publications Ltd. All Rights Reserved

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