High-pressure structural systematics of dysprosium metal compressed in a neon pressure medium to 182 GPa

• Published in: Physical review. B 2022-06, Vol.105 (21)
• Main Authors: Sneed, Daniel T., Söderlind, Per, O’Bannon, III, Earl F., Cynn, Hyunchae, Smith, Dean, Smith, J. S., Park, Changyong, Jenei, Zsolt
• Format: Article
• Language: English
• Subjects: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; density functional calculations; high-pressure studies; lanthanides; pressure effects; pressure techniques
• ISSN: 2469-9950; 2469-9969

Here we present an experimental and theoretical study of dysprosium metal compressed in the soft pressure transmitting medium Ne up to 182 and 300 GPa, respectively. Angle-dispersive x-ray powder diffraction data from each of the high-pressure polymorphs shows anisotropic compression behavior indicating changes to the electron density distribution throughout its polymorphic landscape. We compare the monoclinic (mC4) and orthorhombic (oF16) structures for the collapsed structure for Dy above 82 GPa and verify that the oF16 structure offers a better fit to our data than the previously reported mC4 structure. Further, we have found that the oF16 structure undergoes similar anisotropic compression of its lattice parameters, with a turning point above 160 GPa; suggesting a potential phase transition at pressures much higher than achieved in this study. Density functional theory calculations show the likely candidate for this new high-pressure phase is the isosymmetric oF8 structure, which is predicted to be lower in energy than the oF16 structure above 275 GPa.