The lattice dynamics of the transition metal ruthenium is investigated both by inelastic neutron-scattering experiments and by first-principles density-functional perturbation calculations. There is excellent agreement between experiment and theory. We observe many phonon anomalies, in particular in the vicinity of the M point at the Brillouin-zone boundary, which are unique among the class of elements with hexagonal structure. Theoretical analysis provides evidence that they are not due to nesting effects but arise from a significant momentum dependence of the electron-phonon coupling matrix elements.
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Heid et al. (2000) studied this question.
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