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

Yu Xiao; Kaushik Bhattacharya

doi:10.1117/12.539588

21 July 2004 Interaction of oxygen vacancies with domain walls and its impact on fatigue in ferroelectric thin films

Yu Xiao, Kaushik Bhattacharya

Proceedings Volume 5387, Smart Structures and Materials 2004: Active Materials: Behavior and Mechanics; (2004) https://doi.org/10.1117/12.539588
Event: Smart Structures and Materials, 2004, San Diego, CA, United States

Abstract

The role of oxygen vacancies in fatigue and dielectric breakdown has been a topic of intense research in ferroelectric perovskites like BaTiO₃. 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/BaTiO₃/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.

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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, (21 July 2004); https://doi.org/10.1117/12.539588

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