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Title: Size effects on negative thermal expansion in cubic ScF{sub 3}

Abstract

Scandium trifluoride (ScF{sub 3}), adopting a cubic ReO{sub 3}-type structure at ambient pressure, undergoes a pronounced negative thermal expansion (NTE) over a wide range of temperatures (10 K–1100 K). Here, we report the size effects on the NTE properties of ScF{sub 3}. The magnitude of NTE is reduced with diminishing the crystal size. As revealed by the specific heat measurement, the low-energy phonon vibrations which account for the NTE behavior are stiffened as the crystal size decreases. With decreasing the crystal size, the peaks in high-energy X-ray pair distribution function (PDF) become broad, which cannot be illuminated by local symmetry breaking. Instead, the broadened PDF peaks are strongly indicative of enhanced atomic displacements which are suggested to be responsible for the stiffening of NTE-related lattice vibrations. The present study suggests that the NTE properties of ReO{sub 3}-type and other open-framework materials can be effectively adjusted by controlling the crystal size.

Authors:
; ;  [1]; ; ; ; ; ;  [1];  [2]
  1. Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)
  2. University of Science and Technology of China, Hefei 230026 (China)
Publication Date:
OSTI Identifier:
22590572
Resource Type:
Journal Article
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 109; Journal Issue: 2; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0003-6951
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ATOMIC DISPLACEMENTS; CRYSTALS; DISTRIBUTION FUNCTIONS; LATTICE VIBRATIONS; PHONONS; RHENIUM OXIDES; SCANDIUM; SPECIFIC HEAT; THERMAL EXPANSION

Citation Formats

Yang, C., Guo, X. G., Zhang, K., University of Science and Technology of China, Hefei 230026, Tong, P., E-mail: tongpeng@issp.ac.cn, Lin, J. C., Wang, M., Wu, Y., Lin, S., Xu, W., Song, W. H., Huang, P. C., High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031, Sun, Y. P., E-mail: ypsun@issp.ac.cn, High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031, and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093. Size effects on negative thermal expansion in cubic ScF{sub 3}. United States: N. p., 2016. Web. doi:10.1063/1.4959083.
Yang, C., Guo, X. G., Zhang, K., University of Science and Technology of China, Hefei 230026, Tong, P., E-mail: tongpeng@issp.ac.cn, Lin, J. C., Wang, M., Wu, Y., Lin, S., Xu, W., Song, W. H., Huang, P. C., High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031, Sun, Y. P., E-mail: ypsun@issp.ac.cn, High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031, & Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093. Size effects on negative thermal expansion in cubic ScF{sub 3}. United States. https://doi.org/10.1063/1.4959083
Yang, C., Guo, X. G., Zhang, K., University of Science and Technology of China, Hefei 230026, Tong, P., E-mail: tongpeng@issp.ac.cn, Lin, J. C., Wang, M., Wu, Y., Lin, S., Xu, W., Song, W. H., Huang, P. C., High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031, Sun, Y. P., E-mail: ypsun@issp.ac.cn, High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031, and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093. Mon . "Size effects on negative thermal expansion in cubic ScF{sub 3}". United States. https://doi.org/10.1063/1.4959083.
@article{osti_22590572,
title = {Size effects on negative thermal expansion in cubic ScF{sub 3}},
author = {Yang, C. and Guo, X. G. and Zhang, K. and University of Science and Technology of China, Hefei 230026 and Tong, P., E-mail: tongpeng@issp.ac.cn and Lin, J. C. and Wang, M. and Wu, Y. and Lin, S. and Xu, W. and Song, W. H. and Huang, P. C. and High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031 and Sun, Y. P., E-mail: ypsun@issp.ac.cn and High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031 and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093},
abstractNote = {Scandium trifluoride (ScF{sub 3}), adopting a cubic ReO{sub 3}-type structure at ambient pressure, undergoes a pronounced negative thermal expansion (NTE) over a wide range of temperatures (10 K–1100 K). Here, we report the size effects on the NTE properties of ScF{sub 3}. The magnitude of NTE is reduced with diminishing the crystal size. As revealed by the specific heat measurement, the low-energy phonon vibrations which account for the NTE behavior are stiffened as the crystal size decreases. With decreasing the crystal size, the peaks in high-energy X-ray pair distribution function (PDF) become broad, which cannot be illuminated by local symmetry breaking. Instead, the broadened PDF peaks are strongly indicative of enhanced atomic displacements which are suggested to be responsible for the stiffening of NTE-related lattice vibrations. The present study suggests that the NTE properties of ReO{sub 3}-type and other open-framework materials can be effectively adjusted by controlling the crystal size.},
doi = {10.1063/1.4959083},
url = {https://www.osti.gov/biblio/22590572}, journal = {Applied Physics Letters},
issn = {0003-6951},
number = 2,
volume = 109,
place = {United States},
year = {2016},
month = {7}
}