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Negative thermal expansion property of Zn2V1·7P0·3O7
Solid State Sciences ( IF 3.5 ) Pub Date : 2021-01-02 , DOI: 10.1016/j.solidstatesciences.2020.106515
Yanwen Zhu , Rui Chen , Lu Chen , Mingju Chao , Juan Guo , Qilong Gao , Erjun Liang

A novel negative thermal expansion material of Zn2V1·7P0·3O7 is prepared using a solid-state method. Its phase, microstructure, thermal expansion property, and Raman spectra are analyzed in detail. Experimental results show that Zn2V1·7P0·3O7 exhibits excellent negative expansion characteristics with an expansion coefficient of −4.47 × 10−6 K−1 in a wide temperature range of RT-673 K. The underlying mechanism of the negative thermal expansion of Zn2V1·7P0·3O7 is as follows. The distorted [ZnO5] trigonal bipyramides and [V2O7] structural units with staggered Cs symmetry (part of which V is replaced by P) in Zn2V1·7P0·3O7 are connected by sharing O2 and O3 atoms to form a chain, such that the sample has a layered staggered structure. The lateral vibration of the O3 atoms and the coupling twist and rotation effect of [ZnO5] and [VO4] polyhedrons intensify, causing angles between Zn–O3(long)-V and Zn–O3(short)-V to decrease gradually. The gap between the inner layers of unit cell is gradually reduced, and the volume of Zn2V1·7P0·3O7 shrinks slowly.



中文翻译:

Zn 2 V 1·7 P 0·3 O 7的负热膨胀性

采用固态法制备了新型的Zn 2 V 1·7 P 0·3 O 7负热膨胀材料。详细分析了其相,微结构,热膨胀特性和拉曼光谱。实验结果表明,Zn 2 V 1·7 P 0·3 O 7在RT-673 K的较宽温度范围内均表现出优异的负膨胀特性,膨胀系数为-4.47×10 -6  K -1。 Zn 2 V 1·7 P 0·3 O 7的负热膨胀如下。Zn 2 V 1·7 P 0·3 O 7中具有扭曲的Cs对称性的[ZnO 5 ]三角双锥体和[V 2 O 7 ]错位的Cs对称结构单元(部分V被P取代)连接在一起,并通过共享O 2连接O 3和O 3原子形成链,因此样品具有分层的交错结构。O 3原子的横向振动以及[ZnO 5 ]和[VO 4 ]多面体的耦合扭曲和旋转效应增强,导致Zn–O 3(长) -V和Zn–O 3(短)之间形成角度-V逐渐降低。晶胞内层之间的间隙逐渐减小,Zn 2 V 1·7 P 0·3 O 7的体积缓慢收缩。

更新日期:2021-01-10
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