The uniaxial zero thermal expansion and zero linear compressibility in distorted Prussian blue analogue RbCuCo(CN)6

Lei Wang; Ya Ning Sun; Xian Deng Wei; Meng Yin; Ying Chen; Hideo Miura; Ken Suzuki; Cong Wang

doi:10.1039/d3cp04563c

The uniaxial zero thermal expansion and zero linear compressibility in distorted Prussian blue analogue RbCuCo(CN)₆

Lei Wang^*
, Ya Ning Sun
, Xian Deng Wei
, Meng Yin
, Ying Chen
, Hideo Miura
, Ken Suzuki
, Cong Wang

^*Corresponding author for this work

School of Integrated Circuit Science and Engineering

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

The uniaxial zero thermal expansion (ZTE) in distorted Prussian blue analogue (PBA) RbCuCo(CN)₆ is reproduced by employing first-principles calculations, which agrees well with the experimental data. Also, the zero linear compressibility (ZLC) behavior in RbCuCo(CN)₆ can be found. The special Jahn-Teller distortion introduced by Cu²⁺ in RbCuCo(CN)₆ is noticed by investigating the change of the local structure with temperature and hydrostatic pressure. The lattice thermal conductivity (LTC) and phonon group velocity of RbCuCo(CN)₆ are studied, where the LTC and phonon group velocity are significantly anisotropic. Especially, RbCuCo(CN)₆ exhibits a quite low LTC, and its c-axis shows a characteristic of glasslike LTC at low temperatures.

Original language	English
Pages (from-to)	32845-32852
Number of pages	8
Journal	Physical Chemistry Chemical Physics
Volume	25
Issue number	48
DOIs	https://doi.org/10.1039/d3cp04563c
State	Published - 21 Nov 2023

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title = "The uniaxial zero thermal expansion and zero linear compressibility in distorted Prussian blue analogue RbCuCo(CN)6",

abstract = "The uniaxial zero thermal expansion (ZTE) in distorted Prussian blue analogue (PBA) RbCuCo(CN)6 is reproduced by employing first-principles calculations, which agrees well with the experimental data. Also, the zero linear compressibility (ZLC) behavior in RbCuCo(CN)6 can be found. The special Jahn-Teller distortion introduced by Cu2+ in RbCuCo(CN)6 is noticed by investigating the change of the local structure with temperature and hydrostatic pressure. The lattice thermal conductivity (LTC) and phonon group velocity of RbCuCo(CN)6 are studied, where the LTC and phonon group velocity are significantly anisotropic. Especially, RbCuCo(CN)6 exhibits a quite low LTC, and its c-axis shows a characteristic of glasslike LTC at low temperatures.",

author = "Lei Wang and Sun, \{Ya Ning\} and Wei, \{Xian Deng\} and Meng Yin and Ying Chen and Hideo Miura and Ken Suzuki and Cong Wang",

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year = "2023",

month = nov,

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doi = "10.1039/d3cp04563c",

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TY - JOUR

T1 - The uniaxial zero thermal expansion and zero linear compressibility in distorted Prussian blue analogue RbCuCo(CN)6

AU - Wang, Lei

AU - Sun, Ya Ning

AU - Wei, Xian Deng

AU - Yin, Meng

AU - Chen, Ying

AU - Miura, Hideo

AU - Suzuki, Ken

AU - Wang, Cong

PY - 2023/11/21

Y1 - 2023/11/21

N2 - The uniaxial zero thermal expansion (ZTE) in distorted Prussian blue analogue (PBA) RbCuCo(CN)6 is reproduced by employing first-principles calculations, which agrees well with the experimental data. Also, the zero linear compressibility (ZLC) behavior in RbCuCo(CN)6 can be found. The special Jahn-Teller distortion introduced by Cu2+ in RbCuCo(CN)6 is noticed by investigating the change of the local structure with temperature and hydrostatic pressure. The lattice thermal conductivity (LTC) and phonon group velocity of RbCuCo(CN)6 are studied, where the LTC and phonon group velocity are significantly anisotropic. Especially, RbCuCo(CN)6 exhibits a quite low LTC, and its c-axis shows a characteristic of glasslike LTC at low temperatures.

AB - The uniaxial zero thermal expansion (ZTE) in distorted Prussian blue analogue (PBA) RbCuCo(CN)6 is reproduced by employing first-principles calculations, which agrees well with the experimental data. Also, the zero linear compressibility (ZLC) behavior in RbCuCo(CN)6 can be found. The special Jahn-Teller distortion introduced by Cu2+ in RbCuCo(CN)6 is noticed by investigating the change of the local structure with temperature and hydrostatic pressure. The lattice thermal conductivity (LTC) and phonon group velocity of RbCuCo(CN)6 are studied, where the LTC and phonon group velocity are significantly anisotropic. Especially, RbCuCo(CN)6 exhibits a quite low LTC, and its c-axis shows a characteristic of glasslike LTC at low temperatures.

UR - https://www.scopus.com/pages/publications/85179175121

U2 - 10.1039/d3cp04563c

DO - 10.1039/d3cp04563c

M3 - 文章

C2 - 38047321

AN - SCOPUS:85179175121

SN - 1463-9076

VL - 25

SP - 32845

EP - 32852

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 48

ER -

The uniaxial zero thermal expansion and zero linear compressibility in distorted Prussian blue analogue RbCuCo(CN)₆

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