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State transition and electrocaloric effect of BaZr_xTi_1-xO_3: Simulation and experiment

Ma, Yang-Bin and Molin, Christian and Shvartsman, Vladimir V. and Gebhardt, Sylvia and Lupascu, Doru C. and Albe, Karsten and Xu, Bai-Xiang (2017):
State transition and electrocaloric effect of BaZr_xTi_1-xO_3: Simulation and experiment.
In: J. Appl. Phys., American Institute of Physics, pp. 024103, 121, (2), ISSN 0021-8979, [Article]

Abstract

We present a systematic study on the relation of the electrocaloric effect (ECE) and the relaxor state transition of BaZrxTi1−xO3 (BZT) using a combination of computer simulation and experiment. The results of canonical and microcanonical lattice-based Monte Carlo simulations with a Ginzburg-Landau-type Hamiltonian are compared with measurements of BaZrxTi1−xO3 (x = 0.12 and 0.2) samples. In particular, we study the ECE at various temperatures, domain patterns by piezoresponse force microscopy at room temperature, and the P-E loops at various temperatures. We find three distinct regimes depending on the Zr-concentration. In the compositional range 0≤x≤0.2, ferroelectric domains are visible, but the ECE peak drops considerably with increasing Zr-concentration. In the range 0.3≤x≤0.7, relaxor features become prominent, and the decrease in the ECE with Zr-concentration is moderate. In the range of high concentrations, x≥0.8, the material is almost nonpolar, and there is no ECE peak visible. Our results reveal that BZT with a Zr-concentration around x=0.12∼0.3 exhibits a relatively large ECE in a wide temperature range at rather low temperature.

Item Type: Article
Erschienen: 2017
Creators: Ma, Yang-Bin and Molin, Christian and Shvartsman, Vladimir V. and Gebhardt, Sylvia and Lupascu, Doru C. and Albe, Karsten and Xu, Bai-Xiang
Title: State transition and electrocaloric effect of BaZr_xTi_1-xO_3: Simulation and experiment
Language: English
Abstract:

We present a systematic study on the relation of the electrocaloric effect (ECE) and the relaxor state transition of BaZrxTi1−xO3 (BZT) using a combination of computer simulation and experiment. The results of canonical and microcanonical lattice-based Monte Carlo simulations with a Ginzburg-Landau-type Hamiltonian are compared with measurements of BaZrxTi1−xO3 (x = 0.12 and 0.2) samples. In particular, we study the ECE at various temperatures, domain patterns by piezoresponse force microscopy at room temperature, and the P-E loops at various temperatures. We find three distinct regimes depending on the Zr-concentration. In the compositional range 0≤x≤0.2, ferroelectric domains are visible, but the ECE peak drops considerably with increasing Zr-concentration. In the range 0.3≤x≤0.7, relaxor features become prominent, and the decrease in the ECE with Zr-concentration is moderate. In the range of high concentrations, x≥0.8, the material is almost nonpolar, and there is no ECE peak visible. Our results reveal that BZT with a Zr-concentration around x=0.12∼0.3 exhibits a relatively large ECE in a wide temperature range at rather low temperature.

Journal or Publication Title: J. Appl. Phys.
Volume: 121
Number: 2
Publisher: American Institute of Physics
Divisions: 11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Mechanics of functional Materials
11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
11 Department of Materials and Earth Sciences
Date Deposited: 23 Jan 2017 08:03
Identification Number: doi:10.1063/1.4973574
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