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Uniaxial Negative Thermal Expansion in γ-LiBO2 with a Closed-Framework Diamond-Like Structure : научное издание
Библиографическое описание:Uniaxial Negative Thermal Expansion in γ-LiBO2 with a Closed-Framework Diamond-Like Structure : научное издание / Z. Z. Liang [et al.]. - Текст : непосредственный // Chemistry of Materials. - 2024. - Т. 36, № 15. - P. 7299-7305. - ISSN 0897-4756. - ISSN 1520-5002, 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 such 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.
Держатель оригинала документа:Beijing Academy of Quantum Information Sciences, Beijing 100193, China, Center of Materials Science and Optoelectronics Engineering, University of the Chinese Academy of Sciences, Beijing 100049, China, Department of Physics and Technical Sciences, Western Caspian University, Baku AZ 1001, Azerbaijan, Functional Crystals Laboratory, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China, Guangxi Key Laboratory of Superhard Materials, China Nonferrous Metals (Guilin) Geology and Mining Co., Ltd., Guilin 541004, China, International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk 660041, Russia, Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia, University of the Chinese Academy of Sciences, Beijing 100049, China
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