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Title: Enhanced tetragonality and large negative thermal expansion in a new Pb/Bi-based perovskite ferroelectric of (1 – x )PbTiO 3x Bi(Zn 1/2 V 1/2 )O 3

Abstract

The investigation of a large negative thermal expansion (NTE) over a wide temperature range has been a vital subject in materials science, since the overall coefficient of thermal expansion (CTE) of ordinary materials can be effectively tailored by the introduction of NTE materials. Here, we successfully achieved a large NTE within a broad temperature range in a new Pb/Bi-based ferroelectric of (1 – x)PbTiO 3–xBi(Zn 1/2V 1/2)O 3 by means of improving the ferroelectricity of PbTiO 3. The current system exhibits an unusual enhanced tetragonality, large spontaneous polarization (P S), and high Curie temperature (T C). Specifically, the x = 0.1 compound exhibits an enhanced CTE of –2.10 × 10 –5 °C –1 from room temperature (RT) up to its T C of 600 °C, which is in contrast to that of pristine PbTiO 3 (–1.99 × 10 –5 °C –1, RT–490 °C). More intriguingly, a large volume shrinkage (ΔV ≈ –1%) has also been observed during the ferroelectric-to-paraelectric phase transition. According to experimental and theoretical studies, the large NTE is attributed to the enhanced P S derived from the strong hybridization of Pb/Bi–O and Ti/Zn/V–O through the substitution of the polar Bi(Zn 1/2V 1/2)O 3 perovskite. The present studymore » demonstrates that a large NTE within a wide temperature range can be achieved in PbTiO 3-based ferroelectrics by improving its ferroelectricity through introducing isostructural polar perovskites.« less

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3];  [3];  [4]; ORCiD logo [5]; ORCiD logo [6]; ORCiD logo [2]
  1. Huazhong University of Science and Technology, Wuhan (China). School of Materials Science and Engineering; Tokyo Inst. of Technology (Japan)
  2. Univ. of Science and Technology Beijing (China)
  3. Chinese Academy of Sciences (CAS), Beijing (China)
  4. Huazhong University of Science and Technology, Wuhan (China). School of Materials Science and Engineering
  5. Argonne National Lab. (ANL), Argonne, IL (United States)
  6. Tokyo Inst. of Technology (Japan)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
National Natural Science Foundation of China (NNSFC); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division
OSTI Identifier:
1577110
Alternate Identifier(s):
OSTI ID: 1526079
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Inorganic Chemistry Frontiers (Online)
Additional Journal Information:
Journal Name: Inorganic Chemistry Frontiers (Online); Journal Volume: 6; Journal Issue: 8; Journal ID: ISSN 2052-1553
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Pan, Zhao, Chen, Jun, Jiang, Xingxing, Lin, Zheshuai, Zhang, Haibo, Ren, Yang, Azuma, Masaki, and Xing, Xianran. Enhanced tetragonality and large negative thermal expansion in a new Pb/Bi-based perovskite ferroelectric of (1 – x )PbTiO 3 – x Bi(Zn 1/2 V 1/2 )O 3. United States: N. p., 2019. Web. doi:10.1039/c9qi00450e.
Pan, Zhao, Chen, Jun, Jiang, Xingxing, Lin, Zheshuai, Zhang, Haibo, Ren, Yang, Azuma, Masaki, & Xing, Xianran. Enhanced tetragonality and large negative thermal expansion in a new Pb/Bi-based perovskite ferroelectric of (1 – x )PbTiO 3 – x Bi(Zn 1/2 V 1/2 )O 3. United States. doi:10.1039/c9qi00450e.
Pan, Zhao, Chen, Jun, Jiang, Xingxing, Lin, Zheshuai, Zhang, Haibo, Ren, Yang, Azuma, Masaki, and Xing, Xianran. Wed . "Enhanced tetragonality and large negative thermal expansion in a new Pb/Bi-based perovskite ferroelectric of (1 – x )PbTiO 3 – x Bi(Zn 1/2 V 1/2 )O 3". United States. doi:10.1039/c9qi00450e.
@article{osti_1577110,
title = {Enhanced tetragonality and large negative thermal expansion in a new Pb/Bi-based perovskite ferroelectric of (1 – x )PbTiO 3 – x Bi(Zn 1/2 V 1/2 )O 3},
author = {Pan, Zhao and Chen, Jun and Jiang, Xingxing and Lin, Zheshuai and Zhang, Haibo and Ren, Yang and Azuma, Masaki and Xing, Xianran},
abstractNote = {The investigation of a large negative thermal expansion (NTE) over a wide temperature range has been a vital subject in materials science, since the overall coefficient of thermal expansion (CTE) of ordinary materials can be effectively tailored by the introduction of NTE materials. Here, we successfully achieved a large NTE within a broad temperature range in a new Pb/Bi-based ferroelectric of (1 – x)PbTiO3–xBi(Zn1/2V1/2)O3 by means of improving the ferroelectricity of PbTiO3. The current system exhibits an unusual enhanced tetragonality, large spontaneous polarization (PS), and high Curie temperature (TC). Specifically, the x = 0.1 compound exhibits an enhanced CTE of –2.10 × 10–5 °C–1 from room temperature (RT) up to its TC of 600 °C, which is in contrast to that of pristine PbTiO3 (–1.99 × 10–5 °C–1, RT–490 °C). More intriguingly, a large volume shrinkage (ΔV ≈ –1%) has also been observed during the ferroelectric-to-paraelectric phase transition. According to experimental and theoretical studies, the large NTE is attributed to the enhanced PS derived from the strong hybridization of Pb/Bi–O and Ti/Zn/V–O through the substitution of the polar Bi(Zn1/2V1/2)O3 perovskite. The present study demonstrates that a large NTE within a wide temperature range can be achieved in PbTiO3-based ferroelectrics by improving its ferroelectricity through introducing isostructural polar perovskites.},
doi = {10.1039/c9qi00450e},
journal = {Inorganic Chemistry Frontiers (Online)},
number = 8,
volume = 6,
place = {United States},
year = {2019},
month = {5}
}

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