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Disorder Effects on the Gap of Thin Si Nanocrystalline Films
Author(s) -
Ménard S.,
Saúl A.,
Bassani F.,
Arnaud d'Avitaya F.
Publication year - 1999
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/(sici)1521-3951(199912)216:2<955::aid-pssb955>3.0.co;2-v
Subject(s) - misorientation , nanocrystalline material , materials science , grain size , band gap , surface finish , condensed matter physics , surface roughness , thin film , grain boundary , composite material , nanotechnology , optoelectronics , microstructure , physics
The gap of Si nanocrystalline films has been computed using a non‐orthogonal tight‐binding approach. We have studied the influence of different types of disorder: inter‐grain distance, inter‐grain misorientation, and film roughness on the gap value of these Si films. In all the cases, the variation of the gap is more important for the smaller grains. Also the inter‐grain distance produces the most important effect on the absolute gap variation. We find a variation of about 2 eV for the smaller grains in this case while it is only of 0.4 eV for the misorientation effect and of 0.2 eV for the film roughness.