Atomistic Simulation of Strain-Induced Domain Evolution in a Uniaxially Compressed BaTiO3 Single-Crystal Nanofilm

A barium titanate single-crystal nanofilm subjected to a monotonically increasing uniaxial compressive strain load is simulated with the molecular dynamics method based on the shell model. A three-stage evolution process of a 180° stripe domain to a flux closure vortex-like domain consisting of four...

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Bibliographic Details
Published in:Journal of electronic materials 2013-08, Vol.42 (8), p.2504-2509
Main Authors: Tian, Xiao Bao, Yang, Xin Hua, Cao, Wei Zhong
Format: Article
Language:English
Subjects:
Characterization and Evaluation of Materials
Chemistry and Materials Science
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Dielectric, piezoelectric, ferroelectric and antiferroelectric materials
Dielectrics, piezoelectrics, and ferroelectrics and their properties
Electronics and Microelectronics
Exact sciences and technology
Ferroelectrics
Instrumentation
Materials Science
Optical and Electronic Materials
Physics
Single crystals
Solid State Physics
Thin films
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Summary:A barium titanate single-crystal nanofilm subjected to a monotonically increasing uniaxial compressive strain load is simulated with the molecular dynamics method based on the shell model. A three-stage evolution process of a 180° stripe domain to a flux closure vortex-like domain consisting of four 90° stripe domains, then to a vortex–antivortex–vortex array, and finally to a new 180° stripe domain perpendicular to the initial stripe domain is observed when the strain varies from 0% to 2%. Both the stable condition and configuration of polarization vortexes in the compressed nanofilm are discussed.
ISSN:0361-5235
1543-186X
DOI:10.1007/s11664-013-2597-9