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Impurity-Defect Complexes in Hydrogenated Amorphous Silicon

Published online by Cambridge University Press:  26 February 2011

Lin H. Yang,
C. Y. Fong and
Carol S. Nichols
Lin H. Yang
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, IL 60439, USA.
C. Y. Fong
Affiliation:
Department of Physics, University of California, Davis, CA 95616, USA.
Carol S. Nichols
Affiliation:
Department of Materials Science and Engineering, Cornell University, Ithaca, NY 14853, USA.
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Abstract

The two most outstanding features observed for dopants in hydrogenated amorphous silicon (a-Si:H) - a shift in the Fermi level accompanied by an increase in the defect density and an absence of degenerate doping - have previously been postulated to stem from the formation of substitutional dopant-dangling bond complexes. Using firstprinciples self-consistent pseudopotential calculations in conjunction with a supercell model for the amorphous network and the ability of network relaxation from the first-principles results, we have studied the electronic and structural properties of substitutional fourfoldcoordinated phosphorus and boron at the second neighbor position to a dangling bond defect. We demonstrate that such impurity-defect complexes can account for the general features observed experimentally in doped a-Si:H.

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 209: Symposium K – Defects in Materials , 1990, 397
Copyright
Copyright © Materials Research Society 1991

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References

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