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Title: Nanomechanics of Ferroelectric Thin Films and Heterostructures

Abstract

The focus of this chapter is to provide basic concepts of how external strains/stresses altering ferroelectric property of a material and how to evaluate quantitatively the effect of strains/stresses on phase stability, domain structure, and material ferroelectric properties using the phase-field method. The chapter starts from a brief introduction of ferroelectrics and the Landau-Devinshire description of ferroelectric transitions and ferroelectric phases in a homogeneous ferroelectric single crystal. Due to the fact that ferroelectric transitions involve crystal structure change and domain formation, strains and stresses can be produced inside of the material if a ferroelectric transition occurs and it is confined. These strains and stresses affect in turn the domain structure and material ferroelectric properties. Therefore, ferroelectrics and strains/stresses are coupled to each other. The ferroelectric-mechanical coupling can be used to engineer the material ferroelectric properties by designing the phase and structure. The followed section elucidates calculations of the strains/stresses and elastic energy in a thin film containing a single domain, twinned domains to complicated multidomains constrained by its underlying substrate. Furthermore, a phase field model for predicting ferroelectric stable phases and domain structure in a thin film is presented. Examples of using substrate constraint and temperature to obtain interested ferroelectricmore » domain structures in BaTiO3 films are demonstrated b phase field simulations.« less

Authors:
; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1327153
Report Number(s):
PNNL-SA-112982
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Book
Resource Relation:
Related Information: Multiscale Materials Modeling for Nanomechanics, 245:469-488
Country of Publication:
United States
Language:
English
Subject:
Ferroelectrics; Thin film; Phase transition; Polarization; Heterostructure; Nanomechanics; Phase field method

Citation Formats

Li, Yulan, Hu, Shenyang Y., and Chen , L.Q. Nanomechanics of Ferroelectric Thin Films and Heterostructures. United States: N. p., 2016. Web. doi:10.1007/978-3-319-33480-6_15.
Li, Yulan, Hu, Shenyang Y., & Chen , L.Q. Nanomechanics of Ferroelectric Thin Films and Heterostructures. United States. doi:10.1007/978-3-319-33480-6_15.
Li, Yulan, Hu, Shenyang Y., and Chen , L.Q. Wed . "Nanomechanics of Ferroelectric Thin Films and Heterostructures". United States. doi:10.1007/978-3-319-33480-6_15.
@article{osti_1327153,
title = {Nanomechanics of Ferroelectric Thin Films and Heterostructures},
author = {Li, Yulan and Hu, Shenyang Y. and Chen , L.Q.},
abstractNote = {The focus of this chapter is to provide basic concepts of how external strains/stresses altering ferroelectric property of a material and how to evaluate quantitatively the effect of strains/stresses on phase stability, domain structure, and material ferroelectric properties using the phase-field method. The chapter starts from a brief introduction of ferroelectrics and the Landau-Devinshire description of ferroelectric transitions and ferroelectric phases in a homogeneous ferroelectric single crystal. Due to the fact that ferroelectric transitions involve crystal structure change and domain formation, strains and stresses can be produced inside of the material if a ferroelectric transition occurs and it is confined. These strains and stresses affect in turn the domain structure and material ferroelectric properties. Therefore, ferroelectrics and strains/stresses are coupled to each other. The ferroelectric-mechanical coupling can be used to engineer the material ferroelectric properties by designing the phase and structure. The followed section elucidates calculations of the strains/stresses and elastic energy in a thin film containing a single domain, twinned domains to complicated multidomains constrained by its underlying substrate. Furthermore, a phase field model for predicting ferroelectric stable phases and domain structure in a thin film is presented. Examples of using substrate constraint and temperature to obtain interested ferroelectric domain structures in BaTiO3 films are demonstrated b phase field simulations.},
doi = {10.1007/978-3-319-33480-6_15},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Aug 31 00:00:00 EDT 2016},
month = {Wed Aug 31 00:00:00 EDT 2016}
}

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