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Web End = Journal of ELECTRONIC MATERIALS, Vol. 44, No. 10, 2015
DOI: 10.1007/s11664-015-3850-1
2015 The Minerals, Metals & Materials Society
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Web End = Evolution of Polarization Vortex Pairs in a Uniaxially Compressed Single-Crystal BaTiO3 Thin Film: From
Initiation to Annihilation
XIAO BAO TIAN,1,2 XIN HUA YANG,1,3 and PENG WANG1
1.School of Civil Engineering & Mechanics, Huazhong University of Science & Technology, Wuhan 430074, China. 2.e-mail: [email protected]. 3.e-mail: [email protected]
Using the molecular dynamics method based on the shell model, a uniaxially compressed single-crystal BaTiO3 thin lm with initial polarization conguration of double 90 domains has been simulated. Initiation and vertical propagation of domain switching induced by displacement loading lead to the occurrence of vortices and antivortices in pairs. However, further transverse extension results in separation between vortices and their corresponding antivortices of the same pair and the approach between vortices and antivortices of different pairs. As a result, a complete evolution process of the vortices and antivortices from initiation, to motion, then to collision, and nally to annihilation is observed. The internal mechanism of vortex antivortex pair evolution is revealed.
Key words: Single-crystal ferroelectric lm, vortexantivortex pair, initiation, annihilation
INTRODUCTION
With the development of micro- and nanoelectronic technologies, ferroelectric materials are attracting increasing attention because of their excellent electromechanical coupling. In general, there are three types of stable polarization conguration: the 90 domain, the 180 domain, and the combined 90 /180 domain.1 When subjected to electrical or mechanical loading, two perpendicular polarization vectors in a 90 domain can switch by 45 in opposite directions to form a 180 domain or a vortex structure with four 45 domains linked end to end. Under certain mechanical loading conditions, a 180 domain can also be transformed into a stable vortex structure. Recently, numerous theoretical and experimental studies on vortex domain congurations have been reported.26
Since Naumov2 predicted the possible existence of a polarization vortex in perovskite Pb(Zr0.5Ti0.5)O3,
vortex-like polarization domains in ferroelectrics
have received much attention. Based on theoretical analyses,2,7 experimental investigations,810 and numerical simulations,11 some nucleation and evolution laws for polarization vortex...