University of Oulu

Bai, Y., Ducharne, B., Jantunen, H., Juuti, J. (2018) Simulation and validation of temperature-dependent ferroelectric properties of multifunctional BCZT and KNBNNO ceramics. Materials Research Express, 5 (11), 116305. doi:10.1088/2053-1591/aade7b

Simulation and validation of temperature-dependent ferroelectric properties of multifunctional BCZT and KNBNNO ceramics

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Author: Bai, Yang1; Ducharne, Benjamin2; Jantunen, Heli1;
Organizations: 1Microelectronics Research Unit, Faculty of Information Technology and Electrical Engineering, University of Oulu
2Laboratoire de Génie Electrique et Ferroélectricité, INSA Lyon
Format: article
Version: accepted version
Access: open
Online Access: PDF Full Text (PDF, 1.1 MB)
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Language: English
Published: IOP Publishing, 2018
Publish Date: 2018-09-18


The properties of perovskite-structured piezoelectric, pyroelectric and photovoltaic materials are largely dependent on their ferroelectric behaviors, e.g. spontaneous and remanent polarizations. Being able to simulate and predict the ferroelectric properties enables better design and optimization of these materials. In this paper, a ferroelectric model is developed from the original ferromagnetic Jiles-Atherton model, with the incorporation of dynamic and temperature contributions. The model is used to compute the ferroelectric hysteresis loops of two ferroelectric materials at various temperatures—(Ba₀.₈₅Ca₀.₁₅)(Zr₀.₁Ti₀.₉)O₃ (BCZT) exhibiting excellent piezoelectric and pyroelectric properties and (K, Na, Ba)(Nb, Ni)O3−delta which is very recently discovered to obtain piezoelectric, pyroelectric and photovoltaic properties simultaneously. Good agreement between the simulation and measurement is achieved, with a <5% difference between the simulated and measured polarization values in the ferroelectric hysteresis loops (P-E loops). By predicting their ferroelectric behaviour, the model will stimulate the development of high-performance ferroelectric materials for applications such as sensing and energy harvesting.

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Series: Materials research express
ISSN: 2053-1591
ISSN-E: 2053-1591
ISSN-L: 2053-1591
Volume: 5
Article number: 116305
DOI: 10.1088/2053-1591/aade7b
Type of Publication: A1 Journal article – refereed
Field of Science: 114 Physical sciences
Funding: This work received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement number 705437. Author J.J. acknowledges the funding of the Academy of Finland (project numbers 267573, 273663 and 298409).
EU Grant Number: (705437) NextGEnergy - Next Generation Power Sources for Self-sustainable Devices – Integrated Multi-source Energy Harvesters
Academy of Finland Grant Number: 267573
Detailed Information: 267573 (Academy of Finland Funding decision)
273663 (Academy of Finland Funding decision)
298409 (Academy of Finland Funding decision)
Copyright information: © Copyright 2018 IOP Publishing. © Copyright 2018 IOP Publishing. This is a peer-reviewed, un-copyedited version of an article accepted for publication/published in Materials Research Express. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at