Negative thermal expansion in cubic FeFe(CN)6 Prussian blue analogues

Shi, Naike; Gao, Qilong; Sanson, Andrea; Li, Qiang; Fan, Longlong; Ren, Yang; Olivi, Luca; Chen, Jun; Xing, Xianran

doi:10.1039/C8DT05111A

Title: Negative thermal expansion in cubic FeFe(CN)₆ Prussian blue analogues

Journal Article · Fri Feb 08 00:00:00 EST 2019 · Dalton Transactions

DOI:https://doi.org/10.1039/C8DT05111A· OSTI ID:1524238

Shi, Naike ^[1]; Gao, Qilong ^[1]; Sanson, Andrea ^[2]; Li, Qiang ^[1]; Fan, Longlong ^[3]; Ren, Yang ^[4]; Olivi, Luca ^[5];

^[1]; Xing, Xianran ^[1]

Univ. of Science and Technology Beijing, Beijing (China)
Univ. of Padova, Padova (Italy)
Tianjin Normal Univ., Tianjin (China)
Argonne National Lab. (ANL), Argonne, IL (United States)
Elettra Sincrotrone Trieste, Basovizza (Italy)

Negative thermal expansion (NTE) behavior is an interesting physical phenomenon, but the number of NTE materials is limited. In this study, a new NTE compound has been found, FeFe(CN)₆ Prussian blue analogue, where the average linear coefficient of thermal expansion (α_l) is –4.260 × 10^–6 K^–1 between 100 and 450 K. The NTE properties and local vibration dynamics have been investigated by joint experiments of synchrotron X-ray diffraction, X-ray pair distribution function, and extended X-ray absorption fine structure spectroscopy. It has been observed that the Fe–C/Fe–N bonds expand with increasing temperature, while the unit cell shrinks in FeFe(CN)₆. The vibration directions of both Fe–C and Fe–N prefer to be perpendicular to the linkage of Fe–C[≡]N–Fe rather than being parallel. More pieces of evidence indicate that the transverse vibrations of N atoms dominate the NTE behavior of FeFe(CN)₆. In conclusion, the present results prove directly that the transverse thermal vibrations of C and N atoms are crucial for the occurrence of the NTE of Prussian blue analogues.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Natural Science Foundation of China (NSFC); Fundamental Research Funds for the Central Universities; USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1524238

Journal Information:: Dalton Transactions, Vol. 48, Issue 11; ISSN 1477-9226

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 26 works

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