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Phase transitions in Zr to 240 GPa

J. D. McHardy*, C. V. Storm, C. M. Lonsdale, C. R. Roy, and M. I. McMahon†

  • SUPA, School of Physics and Astronomy, and Centre for Science at Extreme Conditions, The University of Edinburgh, Peter Guthrie Tait Road, Edinburgh EH9 3FD, United Kingdom

  • *Contact author: J.D.McHardy@ed.ac.uk
  • †Contact author: m.i.mcmahon@ed.ac.uk
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Phys. Rev. B 113, 174115 – Published 18 May, 2026

DOI: https://doi.org/10.1103/zp3m-kjpc

Abstract

Several recent x-ray diffraction studies have focused on whether the high-pressure body-centered cubic (bcc) phase of zirconium undergoes an isostructural bcc-bcc transition at 58 GPa. The consensus of these studies is that there is no such transition and that a previous claim by Stavrou et al. resulted from issues with the pressure calibration. However, a close analysis of the data from one of the most recent of these diffraction studies by Anzellini et al. shows unremarked evidence of a discontinuity in both atomic volume and compressibility at 83 GPa indicating an isostructural transition is present. Unfortunately, no other previous studies have reached this pressure, and so the question of the bcc-bcc transition is still open. Here we describe a diffraction study of Zr to 240 GPa looking for a bcc-bcc isostructural transition. Our data show no evidence of any discontinuous change in volume or compressibility at 83 GPa. We observe no evidence of a β→β′ transition above 80 GPa, and suggest a possible cause of the discontinuity observed by Anzellini et al.

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Outline

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Phys. Rev. B 113, 174115– Published 18 May, 2026
  • Received 19 January 2026
  • Revised 22 April 2026
  • Accepted 29 April 2026
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