首页> 外文会议>Gettering and defect engineering in semiconductor technology XVI >A Density Functional Study of Iron Segregation at ISFs and Σ5-(001) GBs in mc-Si
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A Density Functional Study of Iron Segregation at ISFs and Σ5-(001) GBs in mc-Si

机译:mc-Si中ISF和Σ5-(001)GB处铁偏析的密度泛函研究

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Removal of the dilaterous effects of iron in silicon is critical for the performance of mul-ticrystalline 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)-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.
机译:去除硅中铁的双重影响对于多晶硅(mc-Si)太阳能电池的性能至关重要,内部吸杂剂在扩展的缺陷(包括堆垛层错和晶界)上是一种可能。我们介绍了在固有堆垛层错和(001)-Σ5扭曲晶界处铁的行为的密度函数研究的结果,它们均代表了完全键合系统的示例。我们的结果表明,铁比晶格缺陷更牢固地结合在晶界上,这归因于Si-Fe化学和应变弛豫的结合。但是,我们发现单个Fe原子与这些扩展缺陷的结合能适中,并且小于0.5 eV。

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