Zero thermal expansion (ZTE) materials can solve problems such as device failure and cracking caused by mismatched coefficient of thermal expansion. However, ZTE material is rare in nature. NaZr₂(PO₄)₃ is a framework compound with near-zero thermal expansion due to coupled rotations of rigid ZrO₆ and PO₄ polyhedra in the structure, and several studies have been devoted to obtaining more ZTE compounds by chemical substitution of Na or Zr. Inspired by the AAV concept we proposed, in this work, the PO₄ tetrahedra with a small volume has been replaced by the large volume MoO₄ tetrahedra in K_xMn_xIn_2-x(MoO₄)₃ (x = 0.4, 0.6, 0.8, and 1.0) compounds to provide more space for the coupling rotation of the polyhedron, and reduce the coefficient of thermal expansion. On the other hand, the flexibility of the framework structure has been modulated by the content of K⁺ to achieve new ZTE materials, and the effects of K⁺ content on crystal structure and thermal expansion have been analyzed in detail by combining variable temperature XRD and Raman. These findings not only provide more ZTE materials, but also suggest a promising design method for ZTE materials.

中文翻译：

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KxMnxIn2-x（MoO4）3 基材料的零热膨胀


零热膨胀 （ZTE） 材料可以解决因热膨胀系数不匹配而导致的器件失效和开裂等问题。然而，中兴材料在自然界中是稀有的。NaZr₂（PO₄）₃ 是一种骨架化合物，由于结构中刚性 ZrO₆ 和 PO₄ 多面体的耦合旋转，热膨胀接近于零，并且已经进行了多项研究，旨在通过 Na 或 Zr 的化学取代获得更多的 ZTE 化合物。受我们提出的 AAV 概念的启发，在这项工作中， 小体积的 PO₄ 四面体已被 K_xMn_xIn_2-x（MoO₄）₃（x = 0.4、0.6、0.8 和 1.0）化合物的大体积 MoO₄ 四面体所取代，为多面体的耦合旋转提供了更多空间，并降低了热膨胀系数。另一方面，框架结构的柔韧性受到 K⁺ 含量的调制，获得了新的中兴材料，并通过结合变温 XRD 和拉曼详细分析了 K⁺ 含量对晶体结构和热膨胀的影响。这些发现不仅提供了更多的中兴材料，也为中兴材料提供了一种有前途的设计方法。