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Chemical flexibility of A2M3O12-based compounds enables design of materials with versatile functionalities such as ferroelastic switching, ion conduction and negative thermal expansion (NTE) above ferroelastic transition temperature (Tt), promising for...

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The Zr 0.5 Hf 0.5 VPO 7 is successfully synthesized by the solid-state method with near-zero thermal expansion. Powder x-ray diffraction (XRD), Raman spectroscopy, thermal dilatometry, and scanning electron microscopy (SEM) are used to investigate the structure, the phase transition, and the coefficient of thermal expansion (CTE) of Zr 0.5 Hf 0.5 VPO 7 . The investigation results show that the samples are of the single cubic type with a space group of Pa 3 at room temperature (RT). It can be inferred that the superstructure is transformed from the 3 × 3 × 3 superstructure to the 1 × 1 × 1 ideal crystal in a temperature range between 310 K and 323 K. The CTE is measured by a dilatometer to be 0.59 × 10 −6 K −1 (310 K-673 K). The values of intrinsic (XRD) and extrinsic (dilatometric) thermal expansion are both near zero. The results show that Zr 0.5 Hf 0.5 VPO 7 has near-zero thermal expansion behavior over a wide temperature range.