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Title: Zero Thermal Expansion and Abrupt Amorphization on Compression in Anion Excess ReO3-Type Cubic YbZrF7

Abstract

In this paper, heat treatment of cubic YbZrF7, after quenching from 1000 °C, leads to a material displaying precisely zero thermal expansion at ~300 K and negative thermal expansion at lower temperatures. The zero thermal expansion is associated with a minimum in the lattice constant at ~300 K. X-ray total scattering measurements are consistent with a previously proposed model in which the incorporation of interstitial fluoride into the ReO3-related structure leads to both edge and corner sharing coordination polyhedra. The temperature dependence of the experimental pair correlation functions suggests that the expansions of edge and corner sharing links partly compensate for one another, supporting the hypothesis that the deliberate incorporation of excess fluoride into ReO3 structure materials can be used as a design strategy for controlling thermal expansion. Cubic YbZrF7 has a bulk modulus, K0, of 55.4(7) GPa and displays pronounced pressure-induced softening [K0' = -27.7(6)] prior to an abrupt amorphization on compression above 0.95 GPa. Finally, the resulting glass shows a single sharp scattering maximum at Q ~ 1.6 Å–1.

Authors:
 [1];  [1];  [1];  [2];  [2]; ORCiD logo [3]
  1. Georgia Inst. of Technology, Atlanta, GA (United States). School of Chemistry and Biochemistry
  2. Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division. Advanced Photon Source
  3. Georgia Inst. of Technology, Atlanta, GA (United States). School of Chemistry and Biochemistry. School of Materials Science and Engineering
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States); Georgia Inst. of Technology, Atlanta, GA (United States)
Sponsoring Org.:
USDOE Office of Science (SC); National Science Foundation (NSF)
OSTI Identifier:
1467068
Grant/Contract Number:  
AC02-06CH11357; DMR-1607316
Resource Type:
Accepted Manuscript
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Volume: 30; Journal Issue: 9; Journal ID: ISSN 0897-4756
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE

Citation Formats

Ticknor, John O., Hester, Brett R., Adkins, Joshua W., Xu, Wenqian, Yakovenko, Andrey A., and Wilkinson, Angus P. Zero Thermal Expansion and Abrupt Amorphization on Compression in Anion Excess ReO3-Type Cubic YbZrF7. United States: N. p., 2018. Web. doi:10.1021/acs.chemmater.8b00845.
Ticknor, John O., Hester, Brett R., Adkins, Joshua W., Xu, Wenqian, Yakovenko, Andrey A., & Wilkinson, Angus P. Zero Thermal Expansion and Abrupt Amorphization on Compression in Anion Excess ReO3-Type Cubic YbZrF7. United States. doi:10.1021/acs.chemmater.8b00845.
Ticknor, John O., Hester, Brett R., Adkins, Joshua W., Xu, Wenqian, Yakovenko, Andrey A., and Wilkinson, Angus P. Tue . "Zero Thermal Expansion and Abrupt Amorphization on Compression in Anion Excess ReO3-Type Cubic YbZrF7". United States. doi:10.1021/acs.chemmater.8b00845. https://www.osti.gov/servlets/purl/1467068.
@article{osti_1467068,
title = {Zero Thermal Expansion and Abrupt Amorphization on Compression in Anion Excess ReO3-Type Cubic YbZrF7},
author = {Ticknor, John O. and Hester, Brett R. and Adkins, Joshua W. and Xu, Wenqian and Yakovenko, Andrey A. and Wilkinson, Angus P.},
abstractNote = {In this paper, heat treatment of cubic YbZrF7, after quenching from 1000 °C, leads to a material displaying precisely zero thermal expansion at ~300 K and negative thermal expansion at lower temperatures. The zero thermal expansion is associated with a minimum in the lattice constant at ~300 K. X-ray total scattering measurements are consistent with a previously proposed model in which the incorporation of interstitial fluoride into the ReO3-related structure leads to both edge and corner sharing coordination polyhedra. The temperature dependence of the experimental pair correlation functions suggests that the expansions of edge and corner sharing links partly compensate for one another, supporting the hypothesis that the deliberate incorporation of excess fluoride into ReO3 structure materials can be used as a design strategy for controlling thermal expansion. Cubic YbZrF7 has a bulk modulus, K0, of 55.4(7) GPa and displays pronounced pressure-induced softening [K0' = -27.7(6)] prior to an abrupt amorphization on compression above 0.95 GPa. Finally, the resulting glass shows a single sharp scattering maximum at Q ~ 1.6 Å–1.},
doi = {10.1021/acs.chemmater.8b00845},
journal = {Chemistry of Materials},
number = 9,
volume = 30,
place = {United States},
year = {2018},
month = {4}
}

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Works referencing / citing this record:

Polymorphism in M(H 2 PO 2 ) 3 (M = V, Al, Ga) compounds with the perovskite-related ReO 3 structure
journal, January 2019

  • Evans, Hayden A.; Deng, Zeyu; Collings, Ines E.
  • Chemical Communications, Vol. 55, Issue 20
  • DOI: 10.1039/c9cc00118b

Polymorphism in M(H 2 PO 2 ) 3 (M = V, Al, Ga) compounds with the perovskite-related ReO 3 structure
journal, January 2019

  • Evans, Hayden A.; Deng, Zeyu; Collings, Ines E.
  • Chemical Communications, Vol. 55, Issue 20
  • DOI: 10.1039/c9cc00118b