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首页> 外文期刊>Physical review >Polarization alignment, phase transition, and piezoelectricity development in polycrystalline 0.5Ba(Zr_(0.2)Ti_(0.8))O_3-0.5(Ba_(0.7)Ca_(0.3))TiO_3
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Polarization alignment, phase transition, and piezoelectricity development in polycrystalline 0.5Ba(Zr_(0.2)Ti_(0.8))O_3-0.5(Ba_(0.7)Ca_(0.3))TiO_3

机译：多晶0.5Ba（Zr_（0.2）Ti_（0.8））O_3-0.5（Ba_（0.7）Ca_（0.3））TiO_3的极化取向，相变和压电性发展

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摘要

The microstructural origin of the exceptionally high piezoelectric response of polycrystalline 0.5Ba(Zr_(0.2)Ti_(0.8))O_3-0.5(Ba_(0.7)Ca_(0.3))TiO_3 is investigated using in situ transmission electron microscopy, in addition to a wide variety of bulk measurements and first-principles calculations. A direct correlation is established relating a domain wall-free state to the ultrahigh piezoelectric d_(33) coefficient in this BaTiO_3-based composition. The results suggest that the unique single-domain state formed during electrical poling is a result of a structural transition from coexistent rhombohedral and tetragonal phases to an orthorhombic phase that has an anomalously low elastic modulus. First-principles calculations indicate that incorporating Ca~(2+) and Zr~(4+) into BaTiO_3 reduces the differences in structure and energy of the variant perovskite phases, and 0.5Ba(Zr_(0.2)Ti_(0.8))O_3-0.5(Ba_(0.7)Ca_(0.3))TiO_3 is identified as unique because the variant phases become almost indistinguishable. The structural instability and elastic softening observed here are responsible for the excellent piezoelectric properties of this lead-free ceramic.
机译：除了现场观察外，还使用原位透射电子显微镜研究了多晶0.5Ba（Zr_（0.2）Ti_（0.8））O_3-0.5（Ba_（0.7）Ca_（0.3））TiO_3的超高压电响应的微观结构起源。各种各样的体积测量和第一性原理计算。建立了一种直接的相关性，在这种基于BaTiO_3的成分中，无畴壁状态与超高压电d_（33）系数相关。结果表明，在电极化过程中形成的独特的单畴状态是结构上从共存的菱形和四方相转变为具有异常低弹性模量的正交晶相的结果。第一性原理计算表明，将Ca〜（2+）和Zr〜（4+）掺入BaTiO_3可以减少钙钛矿相变结构和能量的差异，而0.5Ba（Zr_（0.2）Ti_（0.8））O_3- 0.5（Ba_（0.7）Ca_（0.3））TiO_3被认为是唯一的，因为相变几乎变得难以区分。此处观察到的结构不稳定性和弹性软化是这种无铅陶瓷出色的压电性能的原因。

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  • 来源
    《Physical review》 |2014年第1期|014103.1-014103.10|共10页
  • 作者

    Hanzheng Guo; Brian K. Voas; Shujun Zhang; Chao Zhou; Xiaobing Ren; Scott P. Beckman; Xiaoli Tan;

  • 作者单位

    Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011, USA;

    Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011, USA;

    Materials Research Institute, Pennsylvania State University, University Park, Pennsylvania 16802, USA;

    Multi-disciplinary Materials Research Center, Frontier Institute of Science and Technology, Xi'an Jiaotong University, Xi'an 710049, China;

    Multi-disciplinary Materials Research Center, Frontier Institute of Science and Technology, Xi'an Jiaotong University, Xi'an 710049, China;

    Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011, USA;

    Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011, USA;

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  • 正文语种 eng
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  • 关键词

    transmission electron microscopy (TEM) (including STEM, HRTEM, etc.); piezoelectricity and electromechanical effects;

    机译：透射电子显微镜（TEM）（包括STEM;HRTEM等）;压电效应和机电效应;

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