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Volume 29 Issue 4
Apr.  2022
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文章导航 >  矿物冶金与材料学报（英文）  > 2022  >  29(4): 783-786
Tao Yang, Longlong Fan, Yilin Wang, Kun Lin, Jun Chen,  and Xianran Xing, Semi-empirical estimation for enhancing negative thermal expansion in PbTiO3-based perovskites, Int. J. Miner. Metall. Mater., 29(2022), No. 4, pp. 783-786. https://doi.org/10.1007/s12613-021-2390-3
Cite this article as:
Tao Yang, Longlong Fan, Yilin Wang, Kun Lin, Jun Chen,  and Xianran Xing, Semi-empirical estimation for enhancing negative thermal expansion in PbTiO3-based perovskites, Int. J. Miner. Metall. Mater., 29(2022), No. 4, pp. 783-786. https://doi.org/10.1007/s12613-021-2390-3
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短文

PbTiO3基钙钛矿化合物负热膨胀增强的半经验估算方法

  • 1)

    北京科技大学北京材料基因工程高精尖创新中心，固体化学研究所，物理化学系，北京 100083，中国

  • 2)

    天津师范大学物理与材料科学学院，天津 300387，中国

  • 3)

    南京工业大学先进材料研究院，江苏先进无机功能复合材料协同创新中心，南京 211816，中国

  • 通讯作者:

    邢献然    E-mail: xing@ustb.edu.cn

文章亮点

  • (1) 提出PbTiO3基化合物负热膨胀增强的半经验公式。
  • (2) 报道了PbTiO3基负热膨胀增强体系0.6PbTiO3–0.4Bi(GaxFe1−x)O3。
  • (3) 通过铁电热致收缩机理和最大熵法揭示了负热膨胀增强的原因。
  • 作为一种典型的负热膨胀材料，PbTiO3有着较高的居里温度、较大的负热膨胀系数、较强的自发极化等而受到广泛研究。近些年来一些学者也提出不同的机理来解释PbTiO3基化合物负热膨胀的成因，其中铁电热致收缩机理最具代表性，但它并不能准确预测PbTiO3基化合物负热膨胀是否增强。本文提出一个半经验公式，即对比PbTiO3及其相关体系一定温度区间（室温到居里温度）的畸变程度，可以方便快捷地判断该体系负热膨胀是否增强。我们通过该方法找到了负热膨胀增强体系0.6PbTiO3–0.4Bi(GaxFe1−x)O3，变温X射线衍射和结构精修表明该体系的负热膨胀性在0.6PbTiO3–0.4BiFeO3的基础上进一步增强。我们对目前报道的PbTiO3基负热膨胀增强体系进行了统计，证明所有体系均符合该经验公式。本文提出的经验公式为进一步发现新的PbTiO3基负热膨胀增强化合物提供了简便方法。
    • Brief Communication

    Semi-empirical estimation for enhancing negative thermal expansion in PbTiO3-based perovskites

    + Author Affiliations
      Abstract
    • Generally, most materials expand when heated and contract when cooled, whereas negative thermal expansion (NTE) materials are very rare. As a typical NTE material, PbTiO3 and related compounds have drawn particular interest in recent years. The discovery of an enhanced NTE system in PbTiO3 is beneficial to deepen our understanding of its mechanism and regulate its properties. At present, the method of discriminating an enhanced NTE material based on PbTiO3 is not universal. Here, we propose a semi-empirical method through evaluating the average lattice distortion in related systems to estimate the relative coefficient of thermal expansion conveniently. The rationality of the method was verified by the analysis of the 0.6PbTiO3–0.4Bi(GaxFe1−x)O3 system. So far, all PbTiO3-based compounds with enhanced NTE conform well to this method. This method provides the possibility to find more enhanced NTE PbTiO3-based materials.
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