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DOI | 10.1038/s41467-019-11035-w |
Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O-3 | |
Nahas, Yousra1; Akbarzadeh, Alireza1; Prokhorenko, Sergei1; Prosandeev, Sergey1,2; Walter, Raymond1; Kornev, Igor3; Iniguez, Jorge4; Bellaiche, L.1 | |
2019-07-05 | |
发表期刊 | NATURE COMMUNICATIONS
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ISSN | 2041-1723 |
出版年 | 2017 |
卷号 | 8 |
文章类型 | Article |
语种 | 英语 |
国家 | USA; Russia; France; Luxembourg |
英文摘要 | In light of directives around the world to eliminate toxic materials in various technologies, finding lead-free materials with high piezoelectric responses constitutes an important current scientific goal. As such, the recent discovery of a large electromechanical conversion near room temperature in (1 - x) Ba(Zr0.2Ti0.8)O-3 -x(Ba0.7Ca0.3)TiO3 compounds has directed attention to understanding its origin. Here, we report the development of a large-scale atomistic scheme providing a microscopic insight into this technologically promising material. We find that its high piezoelectricity originates from the existence of large fluctuations of polarization in the orthorhombic state arising from the combination of a flat free-energy landscape, a fragmented local structure, and the narrow temperature window around room temperature at which this orthorhombic phase is the equilibrium state. In addition to deepening the current knowledge on piezoelectricity, these findings have the potential to guide the design of other lead-free materials with large electromechanical responses. |
领域 | 资源环境 |
收录类别 | SCI-E |
WOS记录号 | WOS:000403698100001 |
WOS关键词 | PHASE-TRANSITIONS ; 1ST PRINCIPLES ; TEMPERATURE PROPERTIES ; FERROELECTRIC PHASE ; SOLID-SOLUTION ; PEROVSKITES ; BEHAVIOR ; BATIO3 |
WOS类目 | Multidisciplinary Sciences |
WOS研究方向 | Science & Technology - Other Topics |
URL | 查看原文 |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/204443 |
专题 | 资源环境科学 |
作者单位 | 1.Univ Arkansas, Phys Dept, Fayetteville, AR 72701 USA; 2.Univ Arkansas, Inst Nanosci & Engn, Fayetteville, AR 72701 USA; 3.Southern Fed Univ, Res Inst Phys, Rostov Na Donu 344090, Russia; 4.Univ Paris Saclay, CentraleSupelec, CNRS UMR8580, Lab Struct Proprietes & Modelisat Solides, F-92295 Chatenay Malabry, France; 5.LIST, Dept Mat Res & Technol, 5 Ave Hauts Fourneaux, L-4362 Esch Sur Alzette, Luxembourg |
推荐引用方式 GB/T 7714 | Nahas, Yousra,Akbarzadeh, Alireza,Prokhorenko, Sergei,et al. Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O-3[J]. NATURE COMMUNICATIONS,2019,8. |
APA | Nahas, Yousra.,Akbarzadeh, Alireza.,Prokhorenko, Sergei.,Prosandeev, Sergey.,Walter, Raymond.,...&Bellaiche, L..(2019).Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O-3.NATURE COMMUNICATIONS,8. |
MLA | Nahas, Yousra,et al."Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O-3".NATURE COMMUNICATIONS 8(2019). |
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