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University of Illinois at Urbana-Champaign
Density Functional Study of Hydrogen in Amorphous Silicon
Abstract
dc:descriptionOur calculations clarify the role of H during electronic defect formation. We calculate the energetics for H to move from a variety of Si-H bonds to the bulk chemical potential. For isolated Si-H bonds (i.e. in micro-cavities without any bond reconstruction) the energetics are not consistent with observations. However, if the remaining Si reconstructs with a nearby silicon creating a 5-fold coordinated defect then the energetics are in agreement with observations. Therefore, our results indicate that the dangling bond model for intrinsic defects in amorphous silicon should be revisited.
Degree
thesis:*- Name thesis:degree_name
- Ph.D.
- Level thesis:degree_level
- Dissertation
- Discipline thesis:degree_discipline
- Physics
- Grantor
- University of Illinois at Urbana-Champaign
- Year dc:date
- 2015
Author and committee
dc:creator, dc:contributor.*- Author dc:creator
-
- Tuttle, Blair R.
- Contributors dc:contributor
-
- Adams, James B.
Subjects
dc:subject × 1Rights
- Language dc:language
- eng
Identifiers
dc:identifier.*- Identifier
- (MiAaPQ)AAI9812793
- OAI identifier oai:identifier
- oai:www.ideals.illinois.edu:2142/80649