Van Hove singularities at the L-face of the lutetium nitride phonon dispersion
M. Markwitz, K. Kneisel, R. G. Buckley, K. C. Rule, M. Chegeni, H. J. Trodahl, W. F. Holmes-Hewett, J. D. Miller, F. Natali, M. Maddah, B. J. Ruck, S. Granville
Abstract
We report the structural and vibrational properties of the prototypical 4f-filled nonmagnetic member LuN of the lanthanide nitrides, LnN, with elastic and inelastic neutron scattering data at 4~K. We find a peak in the generalized density of states which, through input from a DFT+U computation, we ascribe to a van Hove singularity on the fourfold-degenerate L-face of the Brillouin zone. This work advances the understanding of phonon dynamics in LnN beyond the Γ-point.
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