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Interaction of oxygen vacancies with domain walls and its impact on fatigue in ferroelectric thin films

Xiao, Yu and Bhattacharya, Kaushik (2004) Interaction of oxygen vacancies with domain walls and its impact on fatigue in ferroelectric thin films. In: Smart Structures and Materials 2004: Active Materials: Behavior and Mechanics. Proceedings of SPIE. No.5387. Society of Photo-Optical Instrumentation Engineers , Bellingham, WA, pp. 354-365. ISBN 0-8194-5304-8. https://resolver.caltech.edu/CaltechAUTHORS:20160127-064923846

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Abstract

The role of oxygen vacancies in fatigue and dielectric breakdown has been a topic of intense research in ferroelectric perovskites like BaTiO_3. This paper presents a comprehensive model that treats the ferroelectrics as polarizable wide band-gap semiconductors where the oxygen vacancies act as donors. First, a fully coupled nonlinear model is developed with space charges, polarization, electric potential and elastic displacements as variables without making any a priori assumptions on the space charge distribution and the polarization. Second, a Pt/BaTiO_3/Pt structure is considered. Full-field coupled numerical simulations are used to investigate the structure of 180° and 90° domain walls in both perfect and defected crystals. The interactions of oxygen vacancies with domain walls are explored. Numerical results show that there is pronounced charge trapping near 90° domain walls, giving rise to possible domain wall pinning and dielectric breakdown. Third, a simple analytical solution of the potential profile for a metal/ferroelectric semiconductor interface is obtained and the depletion layer width is estimated. These analytical estimates agree with our numerical results and provide a useful tool to discuss the implications of our results.


Item Type:Book Section
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1117/12.539588DOIArticle
http://proceedings.spiedigitallibrary.org/proceeding.aspx?articleid=1323322PublisherArticle
ORCID:
AuthorORCID
Bhattacharya, Kaushik0000-0003-2908-5469
Additional Information:© 2004 Society of Photo-Optical Instrumentation Engineers. We thank Vivek Shenoy and Wei Zhang for useful discussions. We are also glad to acknowledge the financial support of the US Army Research Office through the MURI grant No. DAAD 19-01-1-0517.
Funders:
Funding AgencyGrant Number
Army Research Office (ARO)DAAD 19-01-1-0517
Subject Keywords:Ferroelectric thin film, wide band-gap semiconductor, oxygen vacancy, fatigue, domain wall
Series Name:Proceedings of SPIE
Issue or Number:5387
Record Number:CaltechAUTHORS:20160127-064923846
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20160127-064923846
Official Citation:Yu Xiao and Kaushik Bhattacharya "Interaction of oxygen vacancies with domain walls and its impact on fatigue in ferroelectric thin films", Proc. SPIE 5387, Smart Structures and Materials 2004: Active Materials: Behavior and Mechanics, 354 (July 21, 2004)
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:63990
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:27 Jan 2016 17:43
Last Modified:03 Oct 2019 09:33

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