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research article
Large-Scale Simulations of a-Si:H: The Origin of Midgap States Revisited
Large-scale classical and quantum simulations are used to generate a-Si: H structures. The bond-resolved density of the occupied electron states discloses the nature of microscopic defects responsible for levels in the gap. Highly strained bonds give rise to band tails and midgap states. The latter originate mainly from stretched bonds, in addition to dangling bonds, and can act as hole traps. This study provides strong evidence for photoinduced degradation (Staebler-Wronski effect) driven by strain, thus supporting recent work on a-Si, and sheds light on the role of hydrogen.
Type
research article
Web of Science ID
WOS:000298606800014
Authors
Publication date
2011
Published in
Volume
107
Issue
25
Article Number
255502
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
June 25, 2012
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