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Home  >  Journal list  >  Journal of the Ceramic Society of Japan  >  Vol.122  No.1426 (June) (2014)  >  pp.373-380

Journal of the Ceramic Society of Japan
<<Previous article Vol.122  No.1426 (June) (2014)   pp.373 - 380 Next article>>

Polarization degradation and oxygen-vacancy rearrangement in Mn-doped BaTiO3 ferroelectrics ceramics

Yuki ICHIKAWA1), Yuuki KITANAKA1), Takeshi OGUCHI1), Yuji NOGUCHI1), Masaru MIYAYAMA1)
1) Research Center for Advanced Science and Technology, The University of Tokyo

Effects of defect structures on polarization hysteresis properties have been investigated for Mn-doped BaTiO3 ceramics. The polarization hysteresis loops are found to strongly depend not only on the oxygen vacancy concentration ([VO••]) but also on the majority-acceptor (Mn3+) concentration. Density functional theory (DFT) calculations show that the association of VO•• with Mn3+ and the following alignment of the defect dipole (VO••–Mn3+) along Ps (spontaneous polarization) provide an energetically favorable defect structure due to the lowering in energy of the Mn-3dz2 electron. It is concluded that the double-hysteresis-like loop (P-Edouble) observed with the high concentrations of VO•• and Mn3+ originates from the reversible switching of a 90° domain structure stabilized by the formation of the VO••–Mn3+ // Ps configuration.


Keyword:
Ferroelectrics, BaTiO3, Defect, Mn, Oxygen vacancy, DFT calculations

Received: November 29, 2013
Accepted: December 26, 2013 , Published online: June 01, 2014
Copyright © 2014 The Ceramic Society of Japan

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