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Theoretical Study of the Effect of (F, Li) Codoping on P-Type Tendency in ZnO

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Abstract:

Based on the first-principle calculations, we present a study for p-type ZnO doping. The calculated results show that (F, Li) codoping can suppress the formation of interstitial Li because the formation energy of FO-LiZn is lower than that of FO-Lii under O-rich condition. However, it is also found that FO-LiZn codoping could not realize p-type ZnO because FO-LiZn forms a fully passive complex. Interestingly, we further find FO-2LiZn is a stable acceptor that has lower formation energy and shallower transition level under O-rich condition. We expect this study might be helpful for synthesizing good p-type ZnO by controlling (F, Li) codoping.

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Periodical:

Advanced Materials Research (Volumes 189-193)

Pages:

1660-1663

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.189-193.1660

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Cite this paper

Online since:

February 2011

Authors:

Zhi Hua Xiong, Lan Li Chen, Qi Xin Wan

Keywords:

Ab Initio Calculation, Defect, Electrical Properties, Semiconductor

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© 2011 Trans Tech Publications Ltd. All Rights Reserved

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