Endres F, Steinmann P (2016)
Publication Language: English
Publication Type: Journal article, Original article
Publication year: 2016
Publisher: American Institute of Physics (AIP)
Book Volume: 119
DOI: 10.1063/1.4939600
Ferroelectric functional materials are of great interest in science and technology due to their electromechanically coupled material properties. Therefore, ferroelectrics, such as bariumtitanate, are modeled and simulated at the continuum scale as well as at the atomistic scale. Due to recent advancements in related manufacturing technologies the modeling and simulation of smart materials at the nanometer length scale is getting more important not only to predict but also fundamentally understand the complex material behavior of such materials. In this study, we analyze the size effects of 109° nanodomain walls in ferroelectricbariumtitanate single crystals in the rhombohedral phase using a recently proposed extended molecular statics algorithm. We study the impact of domain thicknesses on the spontaneous polarization, the coercive field, and the lattice constants. Moreover, we discuss how the electromechanical coupling of an applied electric field and the introduced strain in the converse piezoelectric effect is affected by the thickness of nanodomains.
APA:
Endres, F., & Steinmann, P. (2016). Size effects of 109? domain walls in rhombohedral barium titanate single crystals--A molecular statics analysis. Journal of Applied Physics, 119. https://dx.doi.org/10.1063/1.4939600
MLA:
Endres, Florian, and Paul Steinmann. "Size effects of 109? domain walls in rhombohedral barium titanate single crystals--A molecular statics analysis." Journal of Applied Physics 119 (2016).
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