Origins of Structural Hole Traps in Hydrogenated Amorphous Silicon
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Johlin-2013-Origins of structural hole traps in hydrogenated amorphous silicon.pdf
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Author(s)
Johlin, Eric Carl
Wagner, Lucas K.
Buonassisi, Tonio
Grossman, Jeffrey C.
Date Issued
April 2013
Journal
Physical Review Letters
Publisher
American Physical Society
Citation
Johlin, Eric, Lucas K. Wagner, Tonio Buonassisi, and Jeffrey C. Grossman. Origins of Structural Hole Traps in Hydrogenated Amorphous Silicon. Physical Review Letters 110, no. 14 (April 2013). © 2013 American Physical Society.
Version
Final published version
Abstract
The inherently disordered nature of hydrogenated amorphous silicon (a-Si:H) obscures the influence of atomic features on the trapping of holes. To address this, we have created a set of over two thousand ab initio structures of a-Si:H and explored the influence of geometric factors on the occurrence of deep hole traps using density-functional theory. Statistical analysis of the relative contribution of various structures to the trap distribution shows that floating bonds and ionization-induced displacements correlate most strongly with hole traps in our ensemble.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Massachusetts Institute of Technology. Department of Mechanical Engineering
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1103/PhysRevLett.110.146805
