Pressure-induced structural transition and antiferromagnetism in elemental terbium

D. P. Kozlenko, V. Yu. Yushankhai, R. Hayn, M. Richter, N. O. Golosova, S. E. Kichanov, E. V. Lukin, and B. N. Savenko
Phys. Rev. Materials 5, 034402 – Published 4 March 2021
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Abstract

Structural and magnetic properties of rare-earth Tb metal have been studied by means of neutron powder diffraction at pressures up to 9 GPa in the temperature range 7–290 K. A structural phase transition from the initial hexagonal close-packed (hcp) to the Sm-type rhombohedral phase develops gradually at high pressures above 4 GPa. The initial ferromagnetic state in the hcp phase is suppressed and an antiferromagnetic state is developed in the pressure-induced phase. In the Sm-type structure and the temperature range below TMO=110K (at 9 GPa) down to 50 K, long-range order of Tb magnetic moments located in the layers resembling hexagonal close-packing type is formed with a propagation vector kAF1=(0012), while the layers resembling cubic close-packing type remain disordered. This partial disorder disappears at temperatures below 50 K when magnetic order, including the moments in the latter layers, develops with a propagation vector kAF2=(12012). The relative stability of the hcp and Sm-type structures under pressure was examined by density functional theory calculations, providing significant support to the experimental findings. The calculated bulk moduli of the hcp and Sm-type phases are close to the experimentally determined ones and the estimate P04GPa obtained for the equilibrium transition pressure is close to the onset pressure found in real material. The volume collapse at the hcp to Sm-type transition was evaluated to amount to 0.4Å3 per atom.

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  • Received 30 September 2020
  • Revised 15 December 2020
  • Accepted 15 February 2021

DOI:https://doi.org/10.1103/PhysRevMaterials.5.034402

©2021 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

D. P. Kozlenko1,*, V. Yu. Yushankhai2,3, R. Hayn4,5,6, M. Richter5,7, N. O. Golosova1, S. E. Kichanov1, E. V. Lukin1, and B. N. Savenko1

  • 1Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, 141980 Dubna, Russia
  • 2Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna, Russia
  • 3Dubna State University, 141982 Dubna, Russia
  • 4Aix-Marseille Université, CNRS, IM2NP-UMR7334, 13397 Marseille Cedex 20, France
  • 5Leibniz IFW Dresden, Helmholtzstraße 20, D-01069 Dresden, Germany
  • 6Max-Planck Institut für Physik komplexer Systeme, D-01187 Dresden, Germany
  • 7Dresden Center for Computational Materials Science (DCMS), TU Dresden, D-01062 Dresden, Germany

  • *denk@nf.jinr.ru

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Issue

Vol. 5, Iss. 3 — March 2021

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