Journal of Materials Science

, Volume 50, Issue 9, pp 3409–3415

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

  • Carl P. Romao
  • Cody R. Morelock
  • Michel B. Johnson
  • J. W. Zwanziger
  • Angus P. Wilkinson
  • Mary Anne White
Original Paper

DOI: 10.1007/s10853-015-8899-y

Cite this article as:
Romao, C.P., Morelock, C.R., Johnson, M.B. et al. J Mater Sci (2015) 50: 3409. doi:10.1007/s10853-015-8899-y

Abstract

Scandium trifluoride (ScF3) exists in a cubic ReO3 structure that exhibits negative thermal expansion from 10 to 1100 K, while substituted Sc1−xYxF3 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−xYxF3 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.

Supplementary material

10853_2015_8899_MOESM1_ESM.docx (536 kb)
Supplementary material 1 (DOCX 537 kb)

Copyright information

© Springer Science+Business Media New York 2015

Authors and Affiliations

  • Carl P. Romao
    • 1
  • Cody R. Morelock
    • 2
  • Michel B. Johnson
    • 1
  • J. W. Zwanziger
    • 1
  • Angus P. Wilkinson
    • 2
    • 3
  • Mary Anne White
    • 1
  1. 1.Department of Chemistry and Institute for Research in MaterialsDalhousie UniversityHalifaxCanada
  2. 2.School of Chemistry and BiochemistryGeorgia Institute of TechnologyAtlantaUSA
  3. 3.School of Materials Science and EngineeringGeorgia Institute of TechnologyAtlantaUSA