Origins of Structural Hole Traps in Hydrogenated Amorphous Silicon
Author(s)Johlin, Eric Carl; Wagner, Lucas K.; Buonassisi, Tonio; Grossman, Jeffrey C.
MetadataShow full item record
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.
DepartmentMassachusetts Institute of Technology. Department of Materials Science and Engineering; Massachusetts Institute of Technology. Department of Mechanical Engineering
Physical Review Letters
American Physical Society
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.
Final published version