Dissemin is shutting down on January 1st, 2025

Published in

American Physical Society, Physical review B, 2(88), 2013

DOI: 10.1103/physrevb.88.024107

Links

Tools

Export citation

Search in Google Scholar

Formation and switching of defect dipoles in acceptor-doped lead titanate: A kinetic model based on first-principles calculations

Journal article published in 2013 by Paul Erhart ORCID, Petra Träskelin, Karsten Albe
This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
Green circle
Postprint: archiving allowed
Green circle
Published version: archiving allowed
Data provided by SHERPA/RoMEO

Abstract

The formation and field-induced switching of defect dipoles in acceptor doped lead titanate is described by a kinetic model representing an extension of the well established Arlt-Neumann model [Ferroelectrics {\bf 76}, 303 (1987)]. Energy barriers for defect association and reorientation of oxygen vacancy-dopant (Cu and Fe) complexes are obtained from first-principles calculations and serve as input data for the kinetic coefficients in the rate equation model. The numerical solution of the model describes the time evolution of the oxygen vacancy distribution at different temperatures and dopant concentrations in the presence or absence of an alternating external field. We predict the characteristic time scale for the alignment of all defect dipoles with the spontanenous polarization of the surrounding matrix. In this state the defect dipoles act as obstacles for domain wall motion and contribute to the experimentally observed aging. Under cycling conditions the fully aligned configuration is perturbed and a dynamic equilibrium is established with defect dipoles in parallel and anti-parallel orientation relative to the spontaneous polarization. This process can be related to the deaging behavior of piezoelectric ceramics. ; Comment: 10 pages, 7 figures