Giant uniaxial negative thermal expansion in FeZr2 alloy over a wide temperature range

Meng Xu, Qiang Li, Yuzhu Song, Yuanji Xu, Andrea Sanson, Naike Shi, Na Wang, Qiang Sun, Changtian Wang, Xin Chen, Yongqiang Qiao, Feixiang Long, Hui Liu, Qiang Zhang, Alessandro Venier, Yang Ren, Francesco d’Acapito, Luca Olivi, Danilo Oliveira Souza, Xianran Xing and Jun Chen ()
Additional contact information
Meng Xu: University of Science and Technology Beijing
Qiang Li: University of Science and Technology Beijing
Yuzhu Song: University of Science and Technology Beijing
Yuanji Xu: University of Science and Technology Beijing
Andrea Sanson: University of Padua
Naike Shi: University of Science and Technology Beijing
Na Wang: University of Science and Technology Beijing
Qiang Sun: Zheng-zhou University
Changtian Wang: University of Science and Technology Beijing
Xin Chen: University of Science and Technology Beijing
Yongqiang Qiao: Zheng-zhou University
Feixiang Long: University of Science and Technology Beijing
Hui Liu: University of Science and Technology Beijing
Qiang Zhang: Oak Ridge National Laboratory
Alessandro Venier: University of Padua
Yang Ren: City University of Hong Kong, Kowloon
Francesco d’Acapito: CNR-IOM-OGG c/o European Synchrotron Radiation Facility (ESRF) 71 Av. des Martyrs
Luca Olivi: ELETTRA Synchrotron Trieste
Danilo Oliveira Souza: ELETTRA Synchrotron Trieste
Xianran Xing: University of Science and Technology Beijing
Jun Chen: University of Science and Technology Beijing

Nature Communications, 2023, vol. 14, issue 1, 1-8

Abstract: Abstract Negative thermal expansion (NTE) alloys possess great practical merit as thermal offsets for positive thermal expansion due to its metallic properties. However, achieving a large NTE with a wide temperature range remains a great challenge. Herein, a metallic framework-like material FeZr2 is found to exhibit a giant uniaxial (1D) NTE with a wide temperature range (93-1078 K, $${\bar{\alpha }}_{l}=-34.01\times {10}^{-6}\,{{{{{{\rm{K}}}}}}}^{-1}$$ α ¯ l = − 34.01 × 10 − 6 K − 1 ). Such uniaxial NTE is the strongest in all metal-based NTE materials. The direct experimental evidence and DFT calculations reveal that the origin of giant NTE is the couple with phonons, flexible framework-like structure, and soft bonds. Interestingly, the present metallic FeZr2 excites giant 1D NTE mainly driven by high-frequency optical branches. It is unlike the NTE in traditional framework materials, which are generally dominated by low energy acoustic branches. In the present study, a giant uniaxial NTE alloy is reported, and the complex mechanism has been revealed. It is of great significance for understanding the nature of thermal expansion and guiding the regulation of thermal expansion.

Date: 2023
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DOI: 10.1038/s41467-023-40074-7

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