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First-Principles Investigations of Acceptors in ZnSe

Published online by Cambridge University Press:  25 February 2011

Chris G. Van De Walle
Affiliation:
Philips Laboratories, North American Philips Corporation, Briarcliff Manor, NY 10510 and Xerox PARC, 3333 Coyote Hill Road, Palo Alto, CA 94304
D. B. Laks
Affiliation:
National Renewable Energy Laboratory, Golden, CO 80401
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Abstract

We present a theoretical formalism to investigate doping efficiencies of impurities in semiconductors, and show results for various acceptor impurities (Li, Na and N) in ZnSe. These results, obtained from first-principles calculations, yield important insights in the mechanisms that govern impurity formation energies and solubilities.

Type
Research Article
Copyright
Copyright © Materials Research Society 1992

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References

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