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Origins of the Gap States in Polycrystalline Silicon: Tight-Binding Calculations of Twist Boundaries

Published online by Cambridge University Press:  03 September 2012

M. Kohyama ,
S. Kose  and
R. Yamamoto
M. Kohyama
Affiliation:
Glass and Ceramic Material Department, Government Industrial Research Institute, Osaka, 1–8–31, Midorigaoka, Ikeda, Osaka 563, Japan.
S. Kose
Affiliation:
Glass and Ceramic Material Department, Government Industrial Research Institute, Osaka, 1–8–31, Midorigaoka, Ikeda, Osaka 563, Japan.
R. Yamamoto
Affiliation:
Research Center of Advanced Science and Technology, University of Tokyo, 4–6–1, Komaba, Meguro-ku, Tokyo 153, Japan.
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Abstract

The atomic and electronic structures of the twist boundaries Σ (=3 (011), Σ=7 (111) and Σ=5 (001)) in Si have been calculated by using the transferable SETB method coupled with the supercell technique. The twist boundaries in Si contain larger structural disorder or more defects and larger interfacial energies than tilt grain boundaries. Several kinds of structural disorder or defects have been found to generate characteristic electronic states inside the gap. The present structural disorder or defects and the gap states are the candidates of the origins of the observed band-tails or mid-gap states in polycrystalline Si as well as those In amorphous Si.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 262: Symposium E – Defect Engineering in Semiconductor Growth, Processing and Device Technology , 1992 , 567
Copyright
Copyright © Materials Research Society 1992

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References

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