Significant Enhancement of Negative Thermal Expansion Under Low Pressure in Cu2P2O7

Author:

Shi Naike1ORCID,Fan Longlong23,Xu Yuanji4,Yin Wen235,Chen Huaican23,Yuan Bao23,Zhou Chang16,Chen Jun17ORCID

Affiliation:

1. Department of Physical Chemistry University of Science and Technology Beijing Beijing 100083 China

2. Institute of High Energy Physics Chinese Academy of Sciences Beijing 100049 China

3. Spallation Neutron Source Science Center Dalang Dongguan 523803 China

4. Institute for Applied Physics University of Science and Technology Beijing Beijing 100083 China

5. University of Chinese Academy of Sciences Beijing 100049 China

6. State Key Laboratory for Advanced Metals and Materials University of Science and Technology Beijing Beijing 100083 China

7. Hainan University Haikou Hainan Province 570228 China

Abstract

AbstractMuch effort is made to achieve the negative thermal expansion (NTE) control, but rare methods reached the improvement of intrinsic NTE. In the present work, a significantly enhanced NTE is realized in Cu2P2O7 by applying low pressure. Especially, the volumetric coefficient of thermal expansion (CTE) of Cu2P2O7 reached to −50.0 × 10−6 K−1 (150–325K) under 0.25 GPa, which is increased by 47.5% compared to its NTE in a similar temperature range under atmosphere pressure. This character enables a more effective manifestation of the thermal compensation role of Cu2P2O7 in composites. The enhanced NTE mechanisms are analyzed by high pressure synchrotron X‐ray diffraction, neutron diffraction at variable temperature and pressure, as well as density functional theory (DFT) calculations. The results show that applied pressure accelerates the contraction of the distance between adjacent CuO layers and CuO columns. Meanwhile, the low‐frequency phonon contribution to NTE in α‐Cu2P2O7 is improved. This work is meaningful for the exploration of methods to enhance NTE and the practical application of NTE materials.

Funder

National Natural Science Foundation of China

Youth Innovation Promotion Association of the Chinese Academy of Sciences

Fundamental Research Funds for the Central Universities

Publisher

Wiley

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