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Vibrational Localization and Vibrational Spectra in Amorphous Silicon

Published online by Cambridge University Press:  28 February 2011

R. Biswas ,
A. M. Bouchard ,
W. A. Kamitakahara ,
G. S. Grest  and
C. M. Soukoulis
R. Biswas
Affiliation:
Microelectronics Research Center, Iowa State University, Ames, Iowa 50011
A. M. Bouchard
Affiliation:
Microelectronics Research Center, Iowa State University, Ames, Iowa 50011 Ames Laboratory U. S. Department of Energy, Iowa State University, Ames, Iowa 50011
W. A. Kamitakahara
Affiliation:
Ames Laboratory U. S. Department of Energy, Iowa State University, Ames, Iowa 50011
G. S. Grest
Affiliation:
Corporate Research Science Laboratory, Exxon Research and Engineering Company, Annandale, New Jersey 08801
C. M. Soukoulis
Affiliation:
Microelectronics Research Center, Iowa State University, Ames, Iowa 50011 Ames Laboratory U. S. Department of Energy, Iowa State University, Ames, Iowa 50011
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Abstract

Amorphous silicon structures have been generated by quenching liquid silicon configurations using molecular-dynamics simulations. Localized vibrational modes have been identified in these models. The presence of under-coordinated atoms in these a-Si models leads to extra resonant modes at low frequencies. The vibrational densities of states, and dynamic structure factors for localized, resonant and extended modes, are discussed and compared with neutron scattering data. The amorphous networks have also been adapted to model amorphous silicon-germanium systems. Densities of states and localization characteristics have been calculated for a-SixGe1-x alloys and a-Si/a-Ge superlattices, and are compared to Raman measurements.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 141: Symposium T – Atomic Scale Calculations in Materials Science , 1988 , 213
Copyright
Copyright © Materials Research Society 1989

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