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Updated: Jul 8, 2025

Sputter Growth and Characterization of Metamagnetic B2-ordered FeRh Epilayers
Published on: October 5, 2013
The formation energy, phase transition, and negative thermal expansion of Fe2-ScW3O12
Gaojie Zeng1, Chunyan Wang1,2,3, Huanli Yuan1,3
1School of Physics & Microelectronics, and Key Laboratory of Materials Physics of Ministry of Education of China, Zhengzhou University, Zhengzhou 450052, China. ejliang@zzu.edu.cn.
Abstract:
Tungstates with a molecular formula A2W3O12 exhibits a wider negative thermal expansion (NTE) temperature range than molybdates but are challenging to synthesize, especially when A = Fe or Cr with metastable structures. To enhance the structural stability of Fe2W3O12, Sc with lower electronegativity is adopted to substitute Fe according to Fe2-ScW3O12, considering the thermodynamic stability of Sc2W3O12. It is shown that the solid solutions can be easily synthesized and the phase transition temperature (PTT) can be tuned to well below room temperature (RT). Theoretical calculations and experimental results show that the formation energy decreases and the W-O bond in Fe-O-W gradually strengthens as the substitution of Sc in Fe2-ScW3O12 increases, indicating an increase in structural stability. NTE is enhanced after phase transition with an increase in the Sc content. The reduction in PTT and the enhancement in NTE properties of Fe2W3O12 could result in a decrease in the effective electronegativity of the Fe-site elements, resulting in a low formation energy and strengthened W-O bond in Fe-O-W, which corresponds to a more stable structure.
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