Abstract
We have performed a combined experimental and theoretical investigation of the vibrational properties of Heusler alloys. Sn-partial vibrational density of states (VDOS) of 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 Mössbauer spectroscopy. Using density functional theory, we associate the peaks in the VDOS with particular features in the element-resolved phonon dispersion of ordered . 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 . 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.
- Received 10 August 2022
- Revised 7 November 2022
- Accepted 10 November 2022
DOI:https://doi.org/10.1103/PhysRevB.106.214302
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