Localized Symmetry Breaking for Tuning Thermal Expansion in ScF3 Nanoscale Frameworks

Hu, Lei; Qin, Feiyu; Sanson, Andrea; Huang, Liang-Feng; Pan, Zhao; Li, Qiang; Sun, Qiang; Wang, Lu; Guo, Fangmin; Aydemir, Umut; Ren, Yang; Sun, Chengjun; Deng, Jinxia; Aquilanti, Giuliana; Rondinelli, James M.; Chen, Jun; Xing, Xianran

doi:10.1021/jacs.8b00885

Title: Localized Symmetry Breaking for Tuning Thermal Expansion in ScF₃ Nanoscale Frameworks

Journal Article · 20 March 2018 · Journal of the American Chemical Society

DOI: https://doi.org/10.1021/jacs.8b00885 · OSTI ID:1435043

Hu, Lei ^[1]; Qin, Feiyu ^[2];

^[3];

^[4]; Pan, Zhao ^[2]; Li, Qiang ^[2]; Sun, Qiang ^[5]; Wang, Lu ^[2]; Guo, Fangmin ^[6]; Aydemir, Umut ^[7]; Ren, Yang ^[6]; Sun, Chengjun ^[6]; Deng, Jinxia ^[2]; Aquilanti, Giuliana ^[8];

^[4];

^[2];

^[2]

Univ. of Science and Technology, Beijing (China). Dept. of Physical Chemistry; Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering
Univ. of Science and Technology, Beijing (China). Dept. of Physical Chemistry
Univ. of Padova, Padova (Italy). Dept. of Phyics and Astronomy
Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering
Zhengzhou Univ., Zhengzhou (China). International Lab. for Quantum Functional Materials of Henan, School of Physics and Engineering
Argonne National Lab. (ANL), Argonne, IL (United States). X-Ray Science Division
Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Koc University, Sariyer, Istanbul (Turkey). Dept. of Chemistry
Elettra Sincrotrone Trieste, Basovizza, Trieste (Italy)

The local symmetry, beyond the averaged crystallographic structure, tends to bring unu-sual performances. Negative thermal expansion is a peculiar physical property of solids. Here in this paper, we report the delicate design of the localized symmetry breaking to achieve the controllable thermal expansion in ScF₃ nano-scale frameworks. Intriguingly, an isotropic zero thermal expansion is concurrently engineered by localized symmetry breaking, with a remarkably low coefficient of thermal expansion of about +4.0×10-8/K up to 675K. This mechanism is investigated by the joint analysis of atomic pair dis-tribution function of synchrotron X-ray total scattering and extended X-ray absorption fine structure spectra. A localized rhombohedral distortion presumably plays a critical role in stiffening ScF₃ nano-scale frameworks and concomitantly suppressing transverse thermal vibrations of fluorine atoms. This physical scenario is also theoretically corroborated by the extinction of phonon modes with negative Grüneisen parameters in the rhombohedral ScF₃. The present work opens an untraditional chemical modification to achieve controllable thermal expansion by breaking local symmetries of materials.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Natural Science Foundation of China (NSFC); USDOE Office of Science - Office of Basic Energy Sciences - Scientific User Facilities Division

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1435043

Journal Information:: Journal of the American Chemical Society, Vol. 140, Issue 13; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 42 works

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