High-pressure structure of praseodymium revisited: In search of a uniform structural phase sequence for the lanthanide elements

S.E. Finnegan, M.G. Stevenson, E.J. Pace, C.V. Storm, J.D. McHardy, M. I. McMahon, S.G. MacLeod, E. Plekhanov, N. Bonini, C. Weber

Research output: Contribution to journalArticlepeer-review

Abstract

Angle-dispersive x-ray powder diffraction experiments have been performed on praseodymium metal to a pressure of 205 GPa. Between 20 and 165 GPa only the
oC4 (α-uranium) phase is observed, in agreement with previous studies. At 171(5) GPa we find a transition to a tetragonal tI2 phase which is isostructural with the high-pressure post-oC4 phase seen in the neighboring lanthanide cerium above 12 GPa, and with the high-pressure phase of the actinide thorium seen above 100 GPa. Electronic structure calculations determine the oC4→tI2
transition to occur at 130 GPa at 0 K, but find another phase, with the hP1
(simple hexagonal) structure, to have a lower enthalpy than both the oC4
and tI2 structures above 20 GPa at 0 K.
Original languageEnglish
Article number174104
Pages (from-to)1-8
Number of pages8
JournalPhysical Review B
Volume105
Issue number17
DOIs
Publication statusPublished - 9 May 2022

Fingerprint

Dive into the research topics of 'High-pressure structure of praseodymium revisited: In search of a uniform structural phase sequence for the lanthanide elements'. Together they form a unique fingerprint.

Cite this