Authors
Y Pan, F Inam, M Zhang, DA Drabold
Publication date
2008/5/23
Journal
Physical review letters
Volume
100
Issue
20
Pages
206403
Publisher
American Physical Society
Description
Exponential band edges have been observed in a variety of materials, both crystalline and amorphous. In this Letter, we infer the structural origins of these tails in amorphous and defective crystalline Si by direct calculation with current ab initio methods. We find that exponential tails appear in relaxed models of diamond silicon with suitable extended defects that emerge from relaxing point defects. In amorphous silicon (-Si), we find that structural filaments of short bonds and long bonds exist in the network, and that the tail states near the extreme edges of both band tails are also filamentary, with much localization on the structural filaments. We connect the existence of both filament systems to structural relaxation in the presence of defects and of topological disorder.
Total citations
2008200920102011201220132014201520162017201820192020202120222023202441116171099101314411717845
Scholar articles
Y Pan, F Inam, M Zhang, DA Drabold - Physical review letters, 2008