Fe2P2O7 is a multifunctional material and has potential applications in a variety of fields but there exist controversies in the postulated space groups and studies on its phase transition and thermal expansion properties are still lacking. High-resolution synchrotron radiation x-ray diffraction, first-principles calculations, and specific heat capacity analyses are applied to solve these problems. The results reveal that Fe2P2O7 crystallizes in a triclinic structure with the space group at low temperatures (α phase) and undergoes successive phase transitions to an intermediate phase (α′) at about 346 K and a monoclinic structure with the space group (β phase) at about 456 K. Fe2P2O7 exhibits a low, giant negative, and near-zero thermal expansion in the regions of 100–325, 325–375, and 375–475 K, respectively. The Jahn–Teller effect of Fe2+ ions and their transition from the static to dynamic one by thermal activation are proposed to account for the unique thermal expansion/contraction properties.
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14 October 2024
Research Article|
October 17 2024
Negative and near-zero thermal expansion driven by cooperative Jahn–Teller effect in Fe2P2O7
Yuan Liang
;
Yuan Liang
(Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Writing – original draft)
1
College of Physics, Donghua University
, Shanghai 201620, China
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Gaojie Zeng
;
Gaojie Zeng
(Formal analysis, Writing – original draft)
2
School of Physics and Laboratory of Zhongyuan Light, Zhengzhou University
, Zhengzhou 450001, China
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Xiangkai Hao
;
Xiangkai Hao
(Data curation, Methodology)
2
School of Physics and Laboratory of Zhongyuan Light, Zhengzhou University
, Zhengzhou 450001, China
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Kaiyue Zhao;
Kaiyue Zhao
(Investigation)
2
School of Physics and Laboratory of Zhongyuan Light, Zhengzhou University
, Zhengzhou 450001, China
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Xiansheng Liu
;
Xiansheng Liu
(Data curation, Formal analysis)
3
Henan Key Laboratory of Quantum Materials and Quantum Energy, School of Quantum Information Future Technology, Henan University
, Kaifeng 475004, China
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Juan Guo;
Juan Guo
(Data curation, Formal analysis)
2
School of Physics and Laboratory of Zhongyuan Light, Zhengzhou University
, Zhengzhou 450001, China
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Xiao Ren
;
Xiao Ren
(Data curation, Formal analysis, Validation)
2
School of Physics and Laboratory of Zhongyuan Light, Zhengzhou University
, Zhengzhou 450001, China
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Qiang Sun
;
Qiang Sun
(Data curation, Validation)
2
School of Physics and Laboratory of Zhongyuan Light, Zhengzhou University
, Zhengzhou 450001, China
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Yongqiang Qiao
;
Yongqiang Qiao
(Data curation, Formal analysis)
2
School of Physics and Laboratory of Zhongyuan Light, Zhengzhou University
, Zhengzhou 450001, China
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Qilong Gao
;
Qilong Gao
(Funding acquisition, Investigation, Resources)
2
School of Physics and Laboratory of Zhongyuan Light, Zhengzhou University
, Zhengzhou 450001, China
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Erjun Liang
Erjun Liang
a)
(Conceptualization, Funding acquisition, Supervision, Writing – review & editing)
2
School of Physics and Laboratory of Zhongyuan Light, Zhengzhou University
, Zhengzhou 450001, China
a)Author to whom correspondence should be addressed: [email protected]
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a)Author to whom correspondence should be addressed: [email protected]
Appl. Phys. Lett. 125, 162201 (2024)
Article history
Received:
July 15 2024
Accepted:
October 03 2024
Citation
Yuan Liang, Gaojie Zeng, Xiangkai Hao, Kaiyue Zhao, Xiansheng Liu, Juan Guo, Xiao Ren, Qiang Sun, Yongqiang Qiao, Qilong Gao, Erjun Liang; Negative and near-zero thermal expansion driven by cooperative Jahn–Teller effect in Fe2P2O7. Appl. Phys. Lett. 14 October 2024; 125 (16): 162201. https://doi.org/10.1063/5.0228869
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