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

  Info
Periodical
Advanced Materials Research (Volumes 189-193)
Edited by
Zhengyi Jiang, Shanqing Li, Jianmin Zeng, Xiaoping Liao and Daoguo Yang
Pages
1660-1663
DOI
10.4028/www.scientific.net/AMR.189-193.1660
Citation
Z. H. Xiong, L. L. Chen, Q. X. Wan, "Theoretical Study of the Effect of (F, Li) Codoping on P-Type Tendency in ZnO", Advanced Materials Research, Vols. 189-193, pp. 1660-1663, 2011
Online since
February 2011
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$32.00
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