Lattice dynamics in the double-helix antiferromagnet FeP

Publikation: Beitrag in FachzeitschriftForschungsartikelBeigetragenBegutachtung

Beitragende

  • A. S. Sukhanov - , Technische Universität Dresden, Max Planck Institute for Chemical Physics of Solids (Autor:in)
  • S. E. Nikitin - , Max Planck Institute for Chemical Physics of Solids, Paul Scherrer Institute (Autor:in)
  • M. S. Pavlovskii - , Russian Academy of Sciences (Autor:in)
  • T. C. Sterling - , University of Colorado Boulder (Autor:in)
  • N. D. Andryushin - , Russian Academy of Sciences (Autor:in)
  • A. S. Cameron - , Technische Universität Dresden (Autor:in)
  • Y. Tymoshenko - , Technische Universität Dresden (Autor:in)
  • H. C. Walker - , Rutherford Appleton Laboratory (Autor:in)
  • I. Morozov - , Lomonosov Moscow State University (Autor:in)
  • I. O. Chernyavskii - , Lomonosov Moscow State University (Autor:in)
  • S. Aswartham - , Leibniz Institute for Solid State and Materials Research Dresden (Autor:in)
  • D. Reznik - , University of Colorado Boulder (Autor:in)
  • D. S. Inosov - , Technische Universität Dresden (Autor:in)

Abstract

We present a comprehensive investigation of lattice dynamics in the double-helix antiferromagnet FeP by means of high-resolution time-of-flight neutron spectroscopy and ab initio calculations. Phonons can hybridize with the magnetic excitations in noncollinear magnets to significantly influence their properties. We observed a rich spectrum of phonon excitations, which extends up to similar to 50 meV. We performed detailed analysis of the observed and calculated spectra for all high-symmetry points and high-symmetry directions of the Brillouin zone. We show that the DFT calculations quantitatively capture the essential features of the observed phonons, including both dispersions and scattering intensities. By making use of the detailed intensity comparison between the theory and the data, we were able to identify displacement vectors for the majority of the observed modes. The overall excellent agreement between the DFT predictions and the experimental results breaks down for the lowest mode at the Y point, whose energy is lower than calculated by similar to 13%. The present study provides vital information on the lattice dynamics in FeP and demonstrates applicability of the DFT to novel pressure-induced phenomena in related materials, such as MnP and CrAs.

Details

OriginalspracheEnglisch
Aufsatznummer043405
Seitenumfang14
FachzeitschriftPhysical Review Research
Jahrgang2
Ausgabenummer4
PublikationsstatusVeröffentlicht - 22 Dez. 2020
Peer-Review-StatusJa

Externe IDs

Scopus 85109663906

Schlagworte

Schlagwörter

  • TOTAL-ENERGY CALCULATIONS, MAGNETIC-STRUCTURE, RESISTIVITY, ANISOTROPY

Bibliotheksschlagworte