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Giant thermal vibrations in the framework compounds Ba_(1-x)Sr_xAl_2O_4

机译：骨架化合物Ba_（1-x）Sr_xAl_2O_4中的巨大热振动

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摘要

Synchrotron x-ray diffraction experiments were performed on the network compounds Ba_(1-x)Sr_xAl_2O_4 at temperatures between 15 and 800 K. The ferroelectric phase of the parent BaAl_2O_4 is largely suppressed by substituting a small amount of Sr for Ba and disappears for x ≥ 0.1. Structural refinements reveal that the isotropic atomic displacement parameter B_(iso) in the bridging oxygen atom is largely independent of temperature and retains an anomalously large value in the adjacent paraelectric phase even at the lowest temperature. The B_(iso) systematically increases as x increases, exhibiting an especially large value for x = 0.5. According to previous electron diffraction experiments for Ba_(1-x)Sr_xAl_2O_4 with x ≥ 0.1, strong thermal diffuse scattering occurs at two reciprocal points relating to two distinct soft modes at the M and K points over a wide range of temperatures below 800 K [Y. Ishii et al, Sci. Rep. 6, 19154 (2016)]. Although the latter mode disappears at approximately 200 K, the former does not condense, at least down to 100 K. The anomalously large B_(iso) observed in this study is ascribed to these soft modes existing in a wide temperature range.
机译：在15至800 K之间的温度下对网络化合物Ba_（1-x）Sr_xAl_2O_4进行了同步辐射X射线衍射实验。母体BaAl_2O_4的铁电相通过用少量Sr代替Ba而在很大程度上被抑制，而对于x消失。 ≥0.1。结构上的改进表明，桥接氧原子中的各向同性原子位移参数B_（iso）在很大程度上与温度无关，即使在最低温度下，在相邻的顺电相中也保持异常大的值。 B_（iso）随着x的增加而系统地增加，对于x = 0.5表现出特别大的值。根据先前对x≥0.1的Ba_（1-x）Sr_xAl_2O_4进行的电子衍射实验，在800 K以下的宽温度范围内，在M和K点的两个互不相关的两个相对点上发生了强烈的热扩散散射，这两个相对软模是的Ishii等，《科学》杂志。 19154号报告（2016）]。尽管后一种模式在大约200 K时消失，但前者至少在100 K时不会凝结。在这项研究中观察到的异常大的B_（iso）归因于存在于较宽温度范围内的这些软模式。

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  • 来源
    《Physical review》 |2016年第5期|054117.1-054117.6|共6页
  • 作者

    S. Kawaguchi; Y. Ishii; E. Tanaka; H. Tsukasaki; Y. Kubota; S. Mori;

  • 作者单位

    Japan Synchrotron Radiation Research Institute (JASRI), SPring-8, Sayo, Hyogo 679-5198, Japan;

    Department of Materials Science, Osaka Prefecture University, Sakai, Osaka 599-8531, Japan;

    Department of Materials Science, Osaka Prefecture University, Sakai, Osaka 599-8531, Japan;

    Department of Materials Science, Osaka Prefecture University, Sakai, Osaka 599-8531, Japan;

    Department of Physical Science, Osaka Prefecture University, Sakai, Osaka 599-8531, Japan;

    Department of Materials Science, Osaka Prefecture University, Sakai, Osaka 599-8531, Japan;

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