Impact of magnetic and antisite disorder on the vibrational densities\nof states in Ni2 MnSn Heusler alloys

0565214 - ÚFM 2023 RIV US eng J - Článek v odborném periodiku
Miroshkina, O. N. - Eggert, B. - Lill, J. - Beckmann, B. - Koch, D. - Hu, M. Y. - Lojewski, T. - Rauls, S. - Scheibel, F. - Taubel, A. - Šob, Mojmír - Ollefs, K. - Gutfleisch, O. - Wende, H. - Gruner, M.E. - Friák, Martin
Impact of magnetic and antisite disorder on the vibrational densities
of states in Ni2 MnSn Heusler alloys.
Physical Review B. Roč. 106, č. 21 (2022), č. článku 214302. ISSN 2469-9950. E-ISSN 2469-9969
Grant CEP: GA ČR(CZ) GA20-16130S
Institucionální podpora: RVO:68081723
Klíčová slova: vibrational density of states * Heusler alloys * magnetic disorder
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 3.7, rok: 2022
Způsob publikování: Omezený přístup
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.106.214302

We have performed a combined experimental and theoretical investigation of the vibrational properties of
Ni 2 MnSn Heusler alloys. Sn-partial vibrational density of states (VDOS) of 119 Sn 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 119 Sn Mössbauer spectroscopy. Using density functional theory, we associate the peaks
in the VDOS with particular features in the element-resolved phonon dispersion of L2 1 ordered Ni 2 MnSn.
The good agreement between theory and experiment in the low-energy region provides the evidence that the
inversion of optical modes at 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
Ni 2 MnSn. 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
Trvalý link: https://hdl.handle.net/11104/0336796