Matches in SemOpenAlex for { <https://semopenalex.org/work/W2057697688> ?p ?o ?g. }
- W2057697688 abstract "Total-energy calculations for ${mathrm{YH}}_{3}$ indicate that small symmetry-breaking hydrogen displacements can lower the total energy of the structure deduced from neutron powder diffraction (NPD) experiments on ${mathrm{YD}}_{3}.$ However, such displacements were not observed in subsequent low-temperature NPD experiments. Here we present the results of parameter-free lattice dynamics calculations for ${mathrm{YH}}_{3}.$ Comparison of the theoretical vibrational densities of states calculated for the ${mathrm{HoD}}_{3}$ and broken-symmetry structures with the recently reported experimental spectrum determined by inelastic neutron scattering yields evidence that symmetry lowering has in fact been seen." @default.
- W2057697688 created "2016-06-24" @default.
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- W2057697688 date "2001-02-13" @default.
- W2057697688 modified "2023-09-26" @default.
- W2057697688 title "Phonon spectrum ofYH3: Evidence for a broken symmetry structure" @default.
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- W2057697688 doi "https://doi.org/10.1103/physrevb.63.100301" @default.
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