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Structural phase transitions in yttrium up to 183 GPa

DOI: 10.1103/PhysRevB.102.094104 DOI Help

Authors: E. J. Pace (University of Edinburgh) , S. E. Finnegan (University of Edinburgh) , C. V. Storm (University of Edinburgh) , M. Stevenson (The University of Edinburgh) , M. I. Mcmahon (University of Edinburgh) , S. G. Macleod (Atomic Weapons Establishment; The University of Edinburgh) , E. Plekhanov (King's College London) , N. Bonini (King's College London) , C. Weber (King's College London)
Co-authored by industrial partner: Yes

Type: Journal Paper
Journal: Physical Review B , VOL 102

State: Published (Approved)
Published: September 2020

Abstract: Angle-dispersive x-ray powder diffraction experiments have been performed on yttrium metal up to 183 GPa. We find that the recently discovered o F 16 structure observed in the high- Z trivalent lanthanides is also adopted by yttrium above 106 GPa, pressures where it has a superconducting temperature of ∼ 20 K. We have also refined both tetragonal and rhombohedral structures against the diffraction data from the preceding “distorted-fcc” phase and we are unable to state categorically which of these is the true structure of this phase. Finally, analysis of yttrium's equation of state reveals a marked change in the compressibility upon adoption of the o F 16 structure, after which the compression is that of a “regular” metal. Electronic structure calculations of o F 16 -Y confirm its stability over o F 8 structure seen in Nd and Sm, and provide insight into the nature of the shift of orbital character from s to d under compression.

Journal Keywords: Compressive strength; Density of states; Electronic structure; Phase transitions; Pressure effects; Structural phase transition; Structural properties

Subject Areas: Materials, Physics


Instruments: I15-Extreme Conditions

Other Facilities: Beamline P02.2 at PETRA III

Added On: 01/10/2020 13:55

Discipline Tags:

Superconductors Quantum Materials Hard condensed matter - electronic properties Physics Hard condensed matter - structures Materials Science

Technical Tags:

Diffraction X-ray Powder Diffraction