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Nanomechanics of Ferroelectric Thin Films and Heterostructures

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Multiscale Materials Modeling for Nanomechanics

Part of the book series: Springer Series in Materials Science ((SSMATERIALS,volume 245))

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Abstract

The focus of this chapter is to provide basic concepts of how externally applied stresses and strains alter the ferroelectric properties of a material and how to quantitatively evaluate these effects on the phase stability, domain structure, and material properties of ferroelectrics using the phase field method. The chapter starts with a brief introduction of ferroelectrics and the Landau–Devonshire description of ferroelectric transitions and ferroelectric phases in a homogeneous ferroelectric single crystal. Due to the fact that ferroelectric transitions involve changes in crystal structure in conjunction with domain formation, strains and stresses can be produced inside of the material if a ferroelectric transition occurs under physical confinement. These stresses and strains, in turn, affect the domain structure and material ferroelectric properties. Therefore, ferroelectric and mechanical properties are coupled to each other. The ferroelectric–mechanical coupling can be used to engineer the ferroelectric material properties by designing the phase and structure of the material. The following section details the calculations of the stresses, strains, and elastic energy of a thin film containing a single domain, a twinned domain, as well as complicated multidomains that are constrained by the underlying substrate. Furthermore, a phase field model for predicting ferroelectric stable phases and domain structure in a thin film is presented. This phase field model is then used to demonstrate how substrate constraint and temperature be used to obtain interesting ferroelectric domain structures in BaTiO3 films.

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Authors and Affiliations

  1. Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, WA, 99352, USA

    Yulan Li & Shengyang Hu

  2. Pennsylvania State University, N-321 Millennium Science Complex, University Park, PA, 16802, USA

    Long-Qing Chen

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  1. Yulan Li
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  2. Shengyang Hu
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Correspondence to Yulan Li .

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Editors and Affiliations

  1. Drexel University, Philadelphia, Pennsylvania, USA

    Christopher R. Weinberger

  2. Drexel University, Philadelphia, Pennsylvania, USA

    Garritt J. Tucker

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Li, Y., Hu, S., Chen, LQ. (2016). Nanomechanics of Ferroelectric Thin Films and Heterostructures. In: Weinberger, C., Tucker, G. (eds) Multiscale Materials Modeling for Nanomechanics. Springer Series in Materials Science, vol 245. Springer, Cham. https://doi.org/10.1007/978-3-319-33480-6_15

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