Formation of ZnO4 Tetrahedra and ZnO6 Octahedra in TeZnO3 Synthesized under High Pressure,Inorganic Chemistry

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Formation of ZnO4 Tetrahedra and ZnO6 Octahedra in TeZnO3 Synthesized under High Pressure
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2018-05-16 00:00:00 , DOI: 10.1021/acs.inorgchem.8b00950
Jianhong Dai _{1,

2} , Xudong Shen _{1,

2} , Zhehong Liu _{1,

2} , Qing Zhao _{1,

2} , Xiao Wang _{1,

2} , Cheng Dong _{1,

2} , Yuecheng Bian ₃ , Wei Ding ₃ , Zhigao Sheng ₃ , Masaki Azuma ₄ , Youwen Long _{1,

2}

Affiliation

A new TeZnO₃ phase was synthesized by high-pressure techniques. Different from the ambient-pressure orthorhombic phase composed of ZnO₅ units, the current high-pressure one crystallizes to a monoclinic structure with space group P2₁/n. Moreover, both ZnO₄ tetrahedral and ZnO₆ octahedral polyhedra are found to occur in this new phase, providing a unique Zn-based material system that simultaneously possesses two distinct coordinated units. Because the outermost orbitals are fully occupied for both Zn²⁺ and Te⁴⁺, the compound exhibits diamagnetism and strong insulating behavior with a wide bandgap as large as 6.0 eV. Dielectric constant and specific heat measurements show a broad anomaly around 240 K. Low-temperature synchrotron X-ray diffraction reveals an isostructural phase transition at this temperature.

中文翻译：

高压合成的TeZnO ₃中ZnO ₄四面体和ZnO ₆八面体的形成

通过高压技术合成了一种新型的TeZnO ₃相。与由ZnO ₅单元组成的常压正交晶相不同，当前的高压晶化为空间群P 2 ₁ / n的单斜晶结构。此外，发现ZnO ₄四面体和ZnO ₆八面体多面体都出现在这个新相中，从而提供了独特的基于Zn的材料系统，该系统同时拥有两个不同的配位单元。因为Zn ²⁺和Te ⁴⁺都完全占据了最外层的轨道，该化合物表现出抗磁性和强绝缘性能，带隙高达6.0 eV。介电常数和比热测量结果表明，在240 K附近存在一个大的异常现象。低温同步加速器X射线衍射揭示了在该温度下的同构相变。

更新日期：2018-05-16

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