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Mobility of Ag Atoms in the Binary System Ag2Se-Ag2S: A Molecular Dynamics Study

Published online by Cambridge University Press:  10 February 2011

A. Smith ,
R. Ravelo  and
N. Pingitore
A. Smith
Affiliation:
Department of Physics and Materials Research Institute, University of Texas, El Paso, TX 79968
R. Ravelo
Affiliation:
Department of Physics and Materials Research Institute, University of Texas, El Paso, TX 79968
N. Pingitore
Affiliation:
Department of Geological Sciences and Materials Research Institute, University of Texas, El Paso, TX 79968
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Abstract

The compounds in the binary system Ag2Se-Ag2S are known to undergo a phase transition to a superionic phase at a temperature which varies with concentration. The diffusion mechanism of Ag ions have been studied in a Molecular Dynamics formalism. We have calculated the diffusion coefficient as function of temperature and concentration and have calculated the activation energy for diffusion from the Arrhenius plot of DAg vs temperature. Results obtained for the end points Ag2Se and Ag2S agree with experimental measurements.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 481: Symposium P – Science and Technology of Semiconductor Surface Preparation , 1997 , 279
Copyright
Copyright © Materials Research Society 1998

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References

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