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The heat capacities of thermomiotic ScF3 and ScF3–YF3 solid solutions

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Abstract

Scandium trifluoride (ScF3) exists in a cubic ReO3 structure that exhibits negative thermal expansion from 10 to 1100 K, while substituted Sc1−x Y x F3 materials display the same behavior at room temperature but transition into positive thermal expansion rhombohedral phases upon cooling. We have measured the heat capacity of ScF3 from 0.4 to 390 K and found no evidence of a phase transition, but do find that its low-temperature heat capacity is anomalously high. The heat capacities of substituted Sc1−x Y x F3 materials are also reported and show evidence of the cubic-rhombohedral phase transition for x ≥ 0.1 and smaller anomalies in the low-temperature heat capacity of the positive thermal expansion rhombohedral phases. To aid in interpretation of these results, the heat capacity of ScF3 was calculated from its phononic structure using density functional theory.

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Acknowledgements

This study was supported by the Natural Sciences and Engineering Research Council of Canada, the Sumner Foundation, and the Canada Foundation for Innovation, the Atlantic Innovation Fund and other partners that fund the Facilities for Materials Characterization managed by the Institute for Research in Materials at Dalhousie University.

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Authors and Affiliations

  1. Department of Chemistry and Institute for Research in Materials, Dalhousie University, Halifax, NS, B3H 4R2, Canada

    Carl P. Romao, Michel B. Johnson, J. W. Zwanziger & Mary Anne White

  2. School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA, 30332, USA

    Cody R. Morelock & Angus P. Wilkinson

  3. School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA

    Angus P. Wilkinson

Authors
  1. Carl P. Romao
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  2. Cody R. Morelock
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  3. Michel B. Johnson
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  4. J. W. Zwanziger
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  5. Angus P. Wilkinson
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  6. Mary Anne White
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Corresponding author

Correspondence to Mary Anne White.

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Romao, C.P., Morelock, C.R., Johnson, M.B. et al. The heat capacities of thermomiotic ScF3 and ScF3–YF3 solid solutions. J Mater Sci 50, 3409–3415 (2015). https://doi.org/10.1007/s10853-015-8899-y

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