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The Structure of Amorphous Hydrogenated Silicon:Carbon Alloys Using X-Ray and Neutron Scattering and Computer Simulation - The Effect of Hydrogen Dilution

Published online by Cambridge University Press:  25 February 2011

T. M. Burke ,
P. J. R. Honeybone ,
D. W. Huxley ,
R. J. Newport ,
Th. Frauenheim ,
P. Blaudeck ,
Th. Kohler  and
C. Hotham
T. M. Burke
Affiliation:
Physics Laboratory, University of Kent, Canterbury, CT2 7NR.Kent, UK
P. J. R. Honeybone
Affiliation:
Physics Laboratory, University of Kent, Canterbury, CT2 7NR.Kent, UK
D. W. Huxley
Affiliation:
Physics Laboratory, University of Kent, Canterbury, CT2 7NR.Kent, UK
R. J. Newport
Affiliation:
Physics Laboratory, University of Kent, Canterbury, CT2 7NR.Kent, UK
Th. Frauenheim
Affiliation:
Technical University, Theoretical Physics, PSF964-0-9040, Chemnitz, Germany
P. Blaudeck
Affiliation:
Technical University, Theoretical Physics, PSF964-0-9040, Chemnitz, Germany
Th. Kohler
Affiliation:
Technical University, Theoretical Physics, PSF964-0-9040, Chemnitz, Germany
C. Hotham
Affiliation:
Chronar Ltd., Unit 1, Waterton Industrial Est., Bridgend, CF31 3YN, UK
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Abstract

Neutron and X-ray diffraction techniques have been applied to the study of two samples of a-Si:C:H. Both samples were prepared using conventional glow discharge methods, but the hydrocarbon/silane precursor gas was diluted with hydrogen in one case. Analysis of the X-ray diffraction data gives a clear picture of the silicon network, since the scattering profile is dominated by the Si-Si correlations. The high real-space resolution neutron diffraction data, however allows one to comment on the effect of this dilution on the silicon-carbon bonding morphology, and in particular on the degree to which the additional hydrogen enhances hetero-coordination. In addition we present the results of a preliminary computer simulation study of the structure of a-C:H and a-Si:H using an approximate molecular dynamic density functional theory, and discuss its viability in the study of the more complex a-Si:C:H ternary alloy.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 270: Symposium M – Novel Forms of Carbon , 1992 , 97
Copyright
Copyright © Materials Research Society 1992

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References

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