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

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

机译：立方Fefe（CN）（6）普鲁士蓝色类似物的负热膨胀

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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 (alpha(l)) is -4.260 x 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-CuN-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). 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.

机译：负热膨胀（NTE）行为是一个有趣的物理现象，但NTE材料的数量有限。在该研究中，已经发现了一种新的NTE化合物，FEFE（CN）（6）普鲁士蓝色类似物，其中平均热膨胀系数（α（1））是-4.260×10（-6）K-1通过同步X射线衍射，X射线对分布功能和延伸的X射线吸收细结构光谱，通过联合实验研究了NTE性能和局部振动动力学。已经观察到Fe-C / Fe-N键随温度的增加而膨胀，而单位细胞在FeFe（CN）6中收缩。Fe-C和Fe-N的振动方向优选垂直于连杆Fe-cun-fe而不是平行。更多的证据表明，N原子的横向振动占FEFE（CN）（6）的NTE行为。目前的结果直接证明C和N原子的横向热振动对于普鲁士蓝类似物的NTE的发生至关重要。

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《Dalton transactions: An international journal of inorganic chemistry》 |2019年第11期|共6页
作者
Shi Naike; Gao Qilong; Sanson Andrea; Li Qiang; Fan Longlong; Ren Yang; Olivi Luca; Chen Jun; Xing Xianran;
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作者单位

Univ Sci &

Technol Beijing Beijing Adv Innovat Ctr Mat Genome Engn Beijing 100083 Peoples R China;

Univ Sci &

Technol Beijing Beijing Adv Innovat Ctr Mat Genome Engn Beijing 100083 Peoples R China;

Univ Padua Dept Phys &

Astron I-35131 Padua Italy;

Univ Sci &

Technol Beijing Beijing Adv Innovat Ctr Mat Genome Engn Beijing 100083 Peoples R China;

Tianjin Normal Univ Coll Phys &

Mat Sci Tianjin 300387 Peoples R China;

Argonne Natl Lab Xray Sci Div 9700 S Cass Ave Argonne IL 60439 USA;

Elettra Sincrotrone Trieste I-34149 Basovizza Italy;

Univ Sci &

Technol Beijing Beijing Adv Innovat Ctr Mat Genome Engn Beijing 100083 Peoples R China;

Univ Sci &

Technol Beijing Beijing Adv Innovat Ctr Mat Genome Engn Beijing 100083 Peoples R China;

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正文语种 eng
中图分类化学;无机化学;
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1. Negative thermal expansion in cubic FeFe(CN)(6) Prussian blue analogues [J] . Shi Naike, Gao Qilong, Sanson Andrea, Dalton transactions: An international journal of inorganic chemistry . 2019,第11期

机译：立方Fefe（CN）（6）普鲁士蓝色类似物的负热膨胀
2. Tunable Thermal Expansion from Negative, Zero, to Positive in Cubic Prussian Blue Analogues of GaFe(CN)(6) [J] . Gao Qilong, Shi Naike, Sanson Andrea, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2018,第22期

机译：从负，零，零的可调热膨胀，在GAFE（CN）（6）的立方普鲁士蓝色类似物中为正
3. Low-Frequency Phonon Driven Negative Thermal Expansion in Cubic GaFe(CN)(6) Prussian Blue Analogues [J] . Gao Qilong, Shi Naike, Sun Qiang, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2018,第17期

机译：低频声子驱动立方Gafe（CN）（6）普鲁士蓝色类似物的负热膨胀
4. Structural and Magnetic Properties of Prussian Blue Analogue Molecular Magnet Fe_(1.5)Cr(CN)_6·mH_2O [C] . Pramod Bhatt, S. S. Meena, M. D. Mukadam, DAE Solid State Physics Symposium . 2016

机译：普鲁士蓝色模拟分子磁体Fe_（1.5）Cr（CN）_6·MH_2O的结构和磁性
5. Crystal structure, thermal expansion, and water occupancies in Prussian Blue Analogs: A combined neutron, x-ray, and microscopy study. [D] . Boergert, Michael J. 2016

机译：普鲁士蓝类似物的晶体结构，热膨胀和水占据：中子，X射线和显微镜的综合研究。
6. Thermal efficiency of a thermocell made of Prussian blue analogues [O] . Takayuki Shibata, Yuya Fukuzumi, Yutaka Moritomo -1

机译：普鲁士蓝类似物制成的热电偶的热效率
7. Compositional Dependence of Negative Thermal Expansion in the Prussian Blue Analogues MIIPtIV(CN)6 (M = Mn, Fe, Co, Ni, Cu, Zn, Cd) [O] . -1

机译：普鲁士蓝色类似物Miiptiv（CN）6（M = Mn，Fe，Co，Ni，Cu，Zn，Cd）的作用依赖性依赖性依赖性

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

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