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Study of point defects in alkaline-earth sulfides

Published online by Cambridge University Press:  31 January 2011

Ravindra Pandey ,
A. Barry Kunz  and
John M. Vail
Ravindra Pandey
Affiliation:
Physics Department, Michigan Technological University, Houghton, Michigan 49931
A. Barry Kunz
Affiliation:
Physics Department, Michigan Technological University, Houghton, Michigan 49931
John M. Vail
Affiliation:
Physics Department, University of Manitoba, Winnipeg, Manitoba R3T 2N2, Canada
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Abstract

The results of a computer simulation study of point defects including vacancy, interstitial, and F+ center in alkaline-earth sulfides are presented. The study is based on ICECAP/HADES simulation procedures and uses empirical interionic potentials obtained from the analysis of macroscopic data for these materials. The results predict the dominance of Schottky disorder and suggest that vacancy migration predominates in alkaline-earth sulfides. Furthermore, the calculated F+ center absorption energy is in good agreement with the experimental data deduced from the optical stimulated studies in these materials.

Type
Articles
Information
Journal of Materials Research , Volume 3 , Issue 6 , December 1988 , pp. 1362 - 1366
Copyright
Copyright © Materials Research Society 1988

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References

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