A new isotropic negative thermal expansion material of CaSnF6 with facile and low-cost synthesis

Gao, Qilong; Zhang, Sen; Jiao, Yixin; Qiao, Yongqiang; Sanson, Andrea; Sun, Qiang; Shi, Xinwei; Liang, Erjun

doi:10.1007/s12274-022-5288-0

Cited by 20 publications

(3 citation statements)

References 64 publications

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“…These have attracted increasing attention in some fields of precision control of thermal expansion, such as optical fiber reflective grating devices and circuit boards, which could act as an additive to control the thermal expansion of matrix materials. 1 So far, NTE compounds can be roughly divided into two broad categories: one is driven by low-frequency phonons, such as oxides, 2,3 fluorides, 4,5 cyanides, 6,7 and MOFs. 8,9 Another is the class of electron-driven NTE compounds, such as BiNiO 3 , 10 BiCu 3 Fe 4 O 12 , 11 Mn 3 AN, 12 and alloys.…”

Section: Introductionmentioning

confidence: 99%

Tailoring thermal expansion and luminescence thermometric performance of KMgScW₃O₁₂-based compounds

Li,

Miao,

Zhao

et al. 2024

J. Mater. Chem. C

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Section: Introductionmentioning

confidence: 99%

Tailoring thermal expansion and luminescence thermometric performance of KMgScW₃O₁₂-based compounds

Li,

Miao,

Zhao

et al. 2024

J. Mater. Chem. C

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“…There are also some materials, although rare, whose volume shrinks with increasing temperature, called negative thermal expansion (NTE) materials . So far, NTE has been reported in many systems such as oxides, − cyanides, − fluorides, − MOFs, and alloys. − But to reach precise volume control and avoid thermal shock, the design of zero thermal expansion (ZTE) materials is fundamental in many technological applications such as high-precision instruments and optical and electronic devices . Some ZTE mechanisms and materials were previously reported, for example, a cage-restricting model in Zn 3 GaB 6 O 12 As and Zn 4 P 6 O 12 S, a guest-molecule steric hindrance effect in TiCo(CN) 6 ·2H 2 O, local structure distortion in (Sc,Fe)F 3 , a low-frequency phonon compensation effect in Ta 2 Mo 2 O 11 , O atomic perturbations in Sc 1.5 Al 0.5 W 3 O 12 , spontaneous magnetic ordering related to La 0.5 Ba 0.5 CoO 3– x , and so on.…”

Section: Introductionmentioning

confidence: 99%

Control of Thermal Expansion in TaVO₅ by Double Chemical Substitution

et al. 2023

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The control of thermal expansion is an important and challenging issue. Focusing attention on the class of AMO 5 negative thermal expansion (NTE) materials, an approach to control their thermal expansion is still missing. In this work, the thermal expansion of TaVO 5 has been controlled from strong negative to zero to positive by double chemical substitution, i.e., Ti and Mo replace Ta and V elements, respectively. A joint study of temperature-dependent X-ray diffraction, X-ray photoelectron spectroscopy, and first-principles calculations has been performed to investigate the thermal expansion mechanism. With the increasing substitution of Ti and Mo atoms, the valence state always remains balanced, and the volume decreases together with a lattice distortion, which leads to the suppression of the NTE. Lattice dynamics calculations confirm that the negative Gruneisen parameters of the low-frequency modes weaken and the thermal vibrations of the polyhedral units diminish after the substitution of Ti and Mo atoms. The present work successfully achieves a tailored thermal expansion in TaVO 5 and draws a possible way to control the thermal expansion of other NTE materials.

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“…The occurrence of NTE is mainly caused by low-frequency phonon vibration, ,, ferroelectric spontaneous polarization, magnetic transitions, − intermetallic charge transfer, , size effect, , and so on. The low-frequency phonon vibration mainly occurs in oxides, − ReO 3 -type fluorides, − organic open frameworks, , and Prussian blue analogues (PBAs). − These phonon-driven NTE materials generally exhibit a large temperature range of NTE …”

Section: Introductionmentioning

confidence: 99%

Influence of A/B Element Substitution on Negative Thermal Expansion in AB(CN)₆ (A = Al, Ga, In; B = Co, Fe, Mn, Cr, V, Ti): A Density Functional Theory Study

Jiao,

Liu,

Gao

et al. 2023

Inorg. Chem.

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Negative thermal expansion as an abnormal physical behavior of materials has promising applications in a high sophisticated equipment field, but the materials are rare. Here, we use the first-principles calculations based on density functional theory combined with the recently developed average atomic volume (AAV = V/N, where V is unit cell volume and N is the number of atoms in the unit) rule to predict the large isotropic negative thermal expansion materials of Prussian blue analogues AB(CN) 6 (A = Al, Ga, In; B = Co, Fe, Mn, Cr, V, Ti) in a wide temperature range. Our results clearly show that the coefficient of negative thermal expansion has a near-linear relationship with the average atomic volume of the systems and is also influenced by the element substitution at the A or B site. Lattice dynamic simulations indicate that the main contribution to the negative thermal expansion comes from the low-frequency transverse vibration of the (B)−C�N−(A) groups, especially the transverse vibration of the N atoms. Thus, the element substitution at the A site (binding to N) can tune the negative thermal expansion behavior of the systems more effectively than that at the B site (binding to C), indicating the different roles of bonds on the negative thermal expansion. Our present work not only expands the kinds of isotropic materials but also gives some insights into the relationship between the average atomic volume and negative thermal expansion.

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A new isotropic negative thermal expansion material of CaSnF6 with facile and low-cost synthesis

Cited by 20 publications

References 64 publications

Tailoring thermal expansion and luminescence thermometric performance of KMgScW₃O₁₂-based compounds

Tailoring thermal expansion and luminescence thermometric performance of KMgScW₃O₁₂-based compounds

Control of Thermal Expansion in TaVO₅ by Double Chemical Substitution

Influence of A/B Element Substitution on Negative Thermal Expansion in AB(CN)₆ (A = Al, Ga, In; B = Co, Fe, Mn, Cr, V, Ti): A Density Functional Theory Study

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A new isotropic negative thermal expansion material of CaSnF6 with facile and low-cost synthesis

Cited by 20 publications

References 64 publications

Tailoring thermal expansion and luminescence thermometric performance of KMgScW3O12-based compounds

Tailoring thermal expansion and luminescence thermometric performance of KMgScW3O12-based compounds

Control of Thermal Expansion in TaVO5 by Double Chemical Substitution

Influence of A/B Element Substitution on Negative Thermal Expansion in AB(CN)6 (A = Al, Ga, In; B = Co, Fe, Mn, Cr, V, Ti): A Density Functional Theory Study

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Tailoring thermal expansion and luminescence thermometric performance of KMgScW₃O₁₂-based compounds

Tailoring thermal expansion and luminescence thermometric performance of KMgScW₃O₁₂-based compounds

Control of Thermal Expansion in TaVO₅ by Double Chemical Substitution

Influence of A/B Element Substitution on Negative Thermal Expansion in AB(CN)₆ (A = Al, Ga, In; B = Co, Fe, Mn, Cr, V, Ti): A Density Functional Theory Study