Van Hove singularities at the $L$-face of the lutetium nitride phonon dispersion

Abstract

We report the structural and vibrational properties of the prototypical 4$f$-filled nonmagnetic member LuN of the lanthanide nitrides, \textit{Ln}N, 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 \textit{Ln}N beyond the $\Gamma$-point.

9 pages, 6 figures