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A Theoretical Study of p-Type Doping of ZnO: Problems and Solutions

Published online by Cambridge University Press:  21 March 2011

Yanfa Yan ,
S.B. Zhang ,
S.J. Pennycook  and
S.T. Pantelides
Yanfa Yan
Affiliation:
National Renewable Energy Laboratory, Golden, Colorado 80401
S.B. Zhang
Affiliation:
National Renewable Energy Laboratory, Golden, Colorado 80401
S.J. Pennycook
Affiliation:
Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235
S.T. Pantelides
Affiliation:
Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235
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Abstract

We present results of a comprehensive set of first-principles total-energy calculations of native and impurity-defect complexes in ZnO and use these results to elucidate the problems that occur in efforts to achieve p-type doping. The analysis naturally leads to new approaches that are likely to overcome the difficulties. The results provide detailed explanations of recent puzzling observations made in attempts to produce p-type ZnO.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 666: Symposium F – Transport and Microstructural Phenomena , 2001 , F2.6
Copyright
Copyright © Materials Research Society 2001

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References

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