Impact of magnetic and antisite disorder on the vibrational densities of states in Ni2MnSn Heusler alloys

Olga N. Miroshkina, Benedikt Eggert, Johanna Lill, Benedikt Beckmann, David Koch, Michael Y. Hu, Tobias Lojewski, Simon Rauls, Franziska Scheibel, Andreas Taubel, Mojmir Šob, Katharina Ollefs, Oliver Gutfleisch, Heiko Wende, Markus E. Gruner, and Martin Friák
Phys. Rev. B 106, 214302 – Published 5 December 2022
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Abstract

We have performed a combined experimental and theoretical investigation of the vibrational properties of Ni2MnSn Heusler alloys. Sn-partial vibrational density of states (VDOS) of Sn119 was measured by nuclear resonant inelastic x-ray scattering at temperatures of 15 and 300 K, while magnetism and local environment of Sn was resolved by Sn119 Mössbauer spectroscopy. Using density functional theory, we associate the peaks in the VDOS with particular features in the element-resolved phonon dispersion of L21 ordered Ni2MnSn. The good agreement between theory and experiment in the low-energy region provides the evidence that the inversion of optical modes at Γ involving the displacement of Ni and the heavier main group element atoms, which was predicted previously for other Ni-Mn-based Heusler compounds, is also a characteristic property of Ni2MnSn. Introducing different types of magnetic and antisite disorder in our calculations results in a distinctive redistribution and broadening of the Sn-VDOS, suggesting that considering partial disorder further improves the agreement with the experiment in particular at the highest phonon energies.

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  • Received 10 August 2022
  • Revised 7 November 2022
  • Accepted 10 November 2022

DOI:https://doi.org/10.1103/PhysRevB.106.214302

©2022 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Olga N. Miroshkina1,*,†, Benedikt Eggert1,*, Johanna Lill1, Benedikt Beckmann2, David Koch2, Michael Y. Hu3, Tobias Lojewski1, Simon Rauls1, Franziska Scheibel2, Andreas Taubel2, Mojmir Šob4,5, Katharina Ollefs1, Oliver Gutfleisch2, Heiko Wende1, Markus E. Gruner1, and Martin Friák5

  • 1Faculty of Physics and Center for Nanointegration Duisburg-Essen (CENIDE), University of Duisburg-Essen, 47057 Duisburg, Germany
  • 2Institute of Materials Science, Technical University of Darmstadt, 64287 Darmstadt, Germany
  • 3Advanced Photon Source (APS), Argonne National Laboratory, Lemont, Illinois 60439, USA
  • 4Department of Chemistry, Faculty of Science, Masaryk University, Kotlářská 2, CZ-611 37 Brno, Czech Republic
  • 5Institute of Physics of Materials, v.v.i., Czech Academy of Sciences, Žižkova 22, CZ-616 62 Brno, Czech Republic

  • *These authors contributed equally to this work.
  • Corresponding author: olga.miroshkina@uni-due.de

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Issue

Vol. 106, Iss. 21 — 1 December 2022

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