Trapping of Oxygen Vacancies at Crystallographic Shear Planes in Acceptor-Doped Pb-Based Ferroelectrics

Dmitry Batuk; Maria Batuk; Alexander A Tsirlin; Joke Hadermann; Artem M Abakumov

doi:10.1002/anie.201507729

Trapping of Oxygen Vacancies at Crystallographic Shear Planes in Acceptor-Doped Pb-Based Ferroelectrics

Angew Chem Int Ed Engl. 2015 Dec 1;54(49):14787-90. doi: 10.1002/anie.201507729. Epub 2015 Oct 21.

Authors

Dmitry Batuk¹, Maria Batuk¹, Alexander A Tsirlin^{2

3}, Joke Hadermann¹, Artem M Abakumov^{4

5}

Affiliations

¹ EMAT, University of Antwerp, Groenenborgerlaan 171, 2020, Antwerp (Belgium).
² National Institute of Chemical Physics and Biophysics, 12618, Tallinn (Estonia).
³ Experimental Physics VI, EKM, University of Augsburg, 86159 Augsburg (Germany).
⁴ EMAT, University of Antwerp, Groenenborgerlaan 171, 2020, Antwerp (Belgium). artem.abakumov@uantwerpen.be.
⁵ Chemistry Department, Moscow State University, 119991, Moscow (Russia). artem.abakumov@uantwerpen.be.

PMID: 26486259
DOI: 10.1002/anie.201507729

Abstract

The defect chemistry of the ferroelectric material PbTiO3 after doping with Fe(III) acceptor ions is reported. Using advanced transmission electron microscopy and powder X-ray and neutron diffraction, we demonstrate that even at concentrations as low as circa 1.7% (material composition approximately ABO2.95), the oxygen vacancies are trapped into extended planar defects, specifically crystallographic shear planes. We investigate the evolution of these defects upon doping and unravel their detailed atomic structure using the formalism of superspace crystallography, thus unveiling their role in nonstoichiometry in the Pb-based perovskites.

Keywords: doping; electron microscopy; ferroelectrics; oxygen vacancies; perovskite defects.

Publication types

Research Support, Non-U.S. Gov't