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  • Title: Giant Negative Thermal Expansion in Ultralight NaB(CN)4.
    Author: Gao Q, Jiao Y, Sun Q, Sprenger JAP, Finze M, Sanson A, Liang E, Xing X, Chen J.
    Journal: Angew Chem Int Ed Engl; 2024 Mar 22; 63(13):e202401302. PubMed ID: 38353130.
    Abstract:
    Negative thermal expansion (NTE) is crucial for controlling the thermomechanical properties of functional materials, albeit being relatively rare. This study reports a giant NTE (αV ∼-9.2 ⋅ 10-5  K-1 , 100-200 K; αV ∼-3.7 ⋅ 10-5  K-1 , 200-650 K) observed in NaB(CN)4 , showcasing interesting ultralight properties. A comprehensive investigation involving synchrotron X-ray diffraction, Raman spectroscopy, and first-principles calculations has been conducted to explore the thermal expansion mechanism. The findings indicate that the low-frequency phonon modes play a primary role in NTE, and non-rigid vibration modes with most negative Grüneisen parameters are the key contributing factor to the giant NTE observed in NaB(CN)4 . This work presents a new material with giant NTE and ultralight mass density, providing insights for the understanding and design of novel NTE materials.
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