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• W3018562468 startingPage "2000063" @default.
• W3018562468 abstract "The lattice dynamics of orthorhombic Sb2Se3 is studied by a combination of inelastic neutron and 121Sb nuclear inelastic scattering giving access to the total and Sb partial density of phonon states (DPS). The Se partial DPS is determined from the difference between the total and Sb partial DPS. The total DPS is determined at 39, 150, and 300 K, and an analysis of the temperature-induced mode shifts in combination with low-temperature powder diffraction data is provided. Using an earlier reported theoretical approach, the corresponding total and partial DPS of Sb2Se3 are calculated by first-principles calculations. Herein, a detailed analysis of the Grüneisen parameter, element-specific and bulk Debye temperatures, and the mean force constants as derived from the experimental data and discrete Fourier transform calculations is provided. In general, the calculations underestimate the strength of the covalent SbSe bonds." @default.
• W3018562468 created "2020-05-01" @default.
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• W3018562468 date "2020-04-20" @default.
• W3018562468 modified "2023-10-18" @default.
• W3018562468 title "Lattice Dynamics of Sb₂Se₃from Inelastic Neutron and X‐Ray Scattering" @default.
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• W3018562468 doi "https://doi.org/10.1002/pssb.202000063" @default.
• W3018562468 hasPublicationYear "2020" @default.
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