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Title

First principles calculations of defect clustering in acceptor-doped BaZrO3

Authors

Akihide Kuwabara, Japan Fine Ceramics CenterFollow
Craig A. J. Fisher, Japan Fine Ceramics Center
Yuji Okuyama, University of Miyazaki
Yoshihiro Yamazaki, Kyushu University

Conference Dates

September 4-8, 2016

Abstract

Acceptor-doped BaZrO₃ shows high proton conductivity under wet atmosphere conditions and is a promising material used for a proton conductive electrolyte. Similar to other kinds of ionic conductors, however, carrier trapping by dopant occurs and suppresses conductivity of the acceptor-doped BaZrO₃ [1]. The carrier trapping is an unavoidable phenomenon for ionic conductors because formation of charge carriers for ionic conduction is attributed to dopants with opposite charge states to the carriers. We have to understand and to control the carrier trapping behavior to optimize properties of ionic conductors.

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Recommended Citation

Akihide Kuwabara, Craig A. J. Fisher, Yuji Okuyama, and Yoshihiro Yamazaki, "First principles calculations of defect clustering in acceptor-doped BaZrO3" in "Nonstoichiometric Compounds VI", ECI Symposium Series, (2016). https://dc.engconfintl.org/nonstoichiometric_vi/20