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首页> 外文期刊>Physical review >Ground state of (Pb_(0.94)Sr_(0.06))(Zr_(0.53)Ti_(0.470))O_3 in the morphotropic phase boundary region: Evidence for a monoclinic C c space group
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Ground state of (Pb_(0.94)Sr_(0.06))(Zr_(0.53)Ti_(0.470))O_3 in the morphotropic phase boundary region: Evidence for a monoclinic C c space group

机译：变质相边界区域中的（Pb_（0.94）Sr_（0.06））（Zr_（0.53）Ti_（0.470））O_3的基态：单斜C c空间群的证据

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摘要

The antiferrodistortive (AFD) phase transition for a pseudotetragonal composition of Pb(Zr_(0.53)Ti_(0.470))O_3 doped with 6% Sr has been investigated using sound velocity (4-320 K), high-resolution synchrotron x-ray powder diffraction (100-800 K), and high-resolution as well as high-flux neutron powder diffraction measurements (4 K) to settle the existing controversies about the true ground state of Pb(Zr_xTu_(1-x))O_3 (PZT) in the morphotropic phase boundary (MPB) region. The multiplet character of the neutron diffraction profiles of (3/2 1/2 1/2)_(pc) (pseudocubic or pc indices) and (3/2 3/2 l/2)_(pc) superlattice peaks, appearing below the AIT!) transition temperature, rules out the rhombohedral R3c space group. The true ground state is confirmed to be monoclinic in the Cc space group, in agreement with the predictions of the first-principles calculations and earlier findings for pure PZT in the MPB region. Here, 6% Sr~(2+) substitution and the use of high-wavelength (X = 2.44 A) neutrons have played a key role in settling the existing controversies about the true ground state of PZT in the MPB region.
机译：研究了使用声速（4-320 K），高分辨率同步加速器X射线粉末研究了掺杂6％Sr的Pb（Zr_（0.53）Ti_（0.470））O_3的拟四方组成的反铁畸变（AFD）相变衍射（100-800 K）和高分辨率以及高通量中子粉末衍射测量（4 K），以解决有关Pb（Zr_xTu_（1-x））O_3（PZT）真实基态的现有争议在形态相边界（MPB）区域。出现（3/2 1/2 1/2）_（pc）（准双折射或pc指数）和（3/2 3/2 l / 2）_（pc）超晶格峰的中子衍射图的多重特征低于AIT！）的转变温度，则排除了菱形R3c空间群。与第一性原理计算的预测和MPB区域中纯PZT的早期发现相一致，在Cc空间群中确定了真实的基态是单斜的。在这里，6％的Sr〜（2+）取代和高波长（X = 2.44 A）中子的使用在解决有关MPB区域中PZT真实基态的现有争议方面起着关键作用。

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  • 来源
    《Physical review》 |2011年第14期|p.144116.1-144116.11|共11页
  • 作者

    Ravindra Singh Solanki; Akhilesh Kumar Singh; S. K. Mishra; Shane J. Kennedy; Takashi Suzuki; Yoshihiro Kuroiwa; Chikako Moriyoshi; Dhananjai Pandey;

  • 作者单位

    School of Materials Science and Technology, Institute of Technology, Banaras Hindu University, Varanasi-221005, India;

    School of Materials Science and Technology, Institute of Technology, Banaras Hindu University, Varanasi-221005, India;

    Research and Technology Development Centre, Sharda University, Greater Noida-201306, India;

    Australian Nuclear Science and Technology Organization (ANSTO), Australia;

    Department of Quantum Matter, ADSM, Hiroshima University, Japan;

    Department of Physical Science, Graduate School of Science, Hiroshima University, Japan;

    Department of Physical Science, Graduate School of Science, Hiroshima University, Japan;

    School of Materials Science and Technology, Institute of Technology, Banaras Hindu University, Varanasi-221005, India;

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