Localized Symmetry Breaking for Tuning Thermal Expansion in ScF3 Nanoscale Frameworks
Abstract
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.
- Authors:
-
- 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)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- National Natural Science Foundation of China (NSFC); USDOE Office of Science - Office of Basic Energy Sciences - Scientific User Facilities Division
- OSTI Identifier:
- 1435043
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of the American Chemical Society
- Additional Journal Information:
- Journal Volume: 140; Journal Issue: 13; Journal ID: ISSN 0002-7863
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
Citation Formats
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, and Xing, Xianran. Localized Symmetry Breaking for Tuning Thermal Expansion in ScF3 Nanoscale Frameworks. United States: N. p., 2018.
Web. doi:10.1021/jacs.8b00885.
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. Localized Symmetry Breaking for Tuning Thermal Expansion in ScF3 Nanoscale Frameworks. United States. https://doi.org/10.1021/jacs.8b00885
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, and Xing, Xianran. Tue .
"Localized Symmetry Breaking for Tuning Thermal Expansion in ScF3 Nanoscale Frameworks". United States. https://doi.org/10.1021/jacs.8b00885. https://www.osti.gov/servlets/purl/1435043.
@article{osti_1435043,
title = {Localized Symmetry Breaking for Tuning Thermal Expansion in ScF3 Nanoscale Frameworks},
author = {Hu, Lei and Qin, Feiyu and Sanson, Andrea and Huang, Liang-Feng and Pan, Zhao and Li, Qiang and Sun, Qiang and Wang, Lu and Guo, Fangmin and Aydemir, Umut and Ren, Yang and Sun, Chengjun and Deng, Jinxia and Aquilanti, Giuliana and Rondinelli, James M. and Chen, Jun and Xing, Xianran},
abstractNote = {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.},
doi = {10.1021/jacs.8b00885},
journal = {Journal of the American Chemical Society},
number = 13,
volume = 140,
place = {United States},
year = {Tue Mar 20 00:00:00 EDT 2018},
month = {Tue Mar 20 00:00:00 EDT 2018}
}
Web of Science
Figures / Tables:
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Figures / Tables found in this record: