Тип публикации: статья из журнала

Год издания: 2024

Идентификатор DOI: 10.1021/acs.chemmater.4c01205

Аннотация: Negative-thermal-expansion (NTE) materials violate the common knowledge of "thermal expansion and cold contraction" in solids and embrace various physical mechanisms. In most phonon-driven NTE materials, an open-framework structure is necessary to accommodate the spatially anisotropic phonon excitations of the bridged atoms, but suПоказать полностьюch a structural feature may result in structural instability at a high temperature. Herein, we focus on γ-LiBO2 with a closed-framework diamond-like structure and identify its uniaxial NTE behavior over the largest temperature range (100−850 K) among this structural family. As the temperature increases, the synergetic structural modification of the constituent structural groups, i.e., the stretching and bending of the Li−O bonds in floppy [LiO4] and the tension or rotation in the [BO4] group, accounts for NTE along the c-axis. Our study unveils that, apart from the anisotropic phonon excitations of individual atoms, the preferred phonon excitations of structural groups are also able to generate NTE, which would update the understanding of the NTE mechanism and guide the further exploration of phonon-driven NTE materials.

Журнал: Chemistry of Materials

Выпуск журнала: Т. 36, № 15

Номера страниц: 7299-7305

ISSN журнала: 08974756

Издатель: American Chemical Society

• Liang Zhengli (University of the Chinese Academy of Sciences, Beijing 100049, China)
• Zhou Haitao (Guangxi Key Laboratory of Superhard Materials, China Nonferrous Metals (Guilin) Geology and Mining Co., Ltd., Guilin 541004, China)
• Li Yuchao (University of the Chinese Academy of Sciences, Beijing 100049, China)
• Molokeev Maxim S. (Department of Physics and Technical Sciences, Western Caspian University, Baku AZ 1001, Azerbaijan)
• Plyaskin Mikhail (International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk 660041, Russia)
• Liu Youquan (Functional Crystals Laboratory, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China)
• Wu Rui (Beijing Academy of Quantum Information Sciences, Beijing 100193, China)
• Jiang Xingxing (Functional Crystals Laboratory, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China)
• Zhang Changlong (Guangxi Key Laboratory of Superhard Materials, China Nonferrous Metals (Guilin) Geology and Mining Co., Ltd., Guilin 541004, China)
• Lin Zheshuai (Center of Materials Science and Optoelectronics Engineering, University of the Chinese Academy of Sciences, Beijing 100049, China)

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