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

Abstract

We report the structural and vibrational properties of the prototypical 4f-filled nonmagnetic member LuN of the lanthanide nitrides, \textit{Ln}N, with elastic and inelastic neutron scattering data at $4K. We find a peak in the generalized density of states which, through input from a DFT+U$ 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 Γ-point.

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BibTeX
@misc{markwitz2026hove,
  title = {{Van Hove singularities at the $L$-face of the lutetium nitride phonon dispersion}},
  author = {M. Markwitz and K. Kneisel and R. G. Buckley and K. C. Rule and M. Chegeni and H. J. Trodahl and W. F. Holmes-Hewett and J. D. Miller and F. Natali and M. Maddah and B. J. Ruck and S. Granville},
  howpublished = {arXiv},
  year = {2026},
  month = aug,
  doi = {10.48550/arxiv.2608.29994},
  eprint = {2608.29994},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2608.29994},
}
RIS
TY  - UNPB
TI  - Van Hove singularities at the L-face of the lutetium nitride phonon dispersion
AU  - M. Markwitz
AU  - K. Kneisel
AU  - R. G. Buckley
AU  - K. C. Rule
AU  - M. Chegeni
AU  - H. J. Trodahl
AU  - W. F. Holmes-Hewett
AU  - J. D. Miller
AU  - F. Natali
AU  - M. Maddah
AU  - B. J. Ruck
AU  - S. Granville
PY  - 2026
DA  - 2026/08/30
PB  - arXiv
DO  - 10.48550/arxiv.2608.29994
UR  - https://arxiv.org/abs/2608.29994
AB  - We report the structural and vibrational properties of the prototypical 4f-filled nonmagnetic member LuN of the lanthanide nitrides, \textit{Ln}N, with elastic and inelastic neutron scattering data at $4K. We find a peak in the generalized density of states which, through input from a DFT+U$ 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 Γ-point.
ER  -