Hydride-ion dynamics in the nitride-hydride Ca3CrN3H
Topochemical reactions have recently led to great progress in the discovery of new metastable compounds with novel chemical and physical properties. A primary example is the recent discovery of hexagonal calcium chromium nitride-hydride Ca3CrN3H. Recently, we investigated the nature of hydride-ion dynamics in Ca3CrN3H, by using quasielastic neutron scattering (QENS). The experiments revealed the presence of diffusive motions of the hydride-ions, featured by a characteristic time-scale of about 10 picoseconds. Interestingly, the dynamics change drastically at T=250 K: the long-range translational motions observed at lower temperatures become localized. In order to elucidate the origin of this evolution, we propose to perform a temperature-dependent inelastic neutron scattering experiment in the range 0-300 K. Crucially, observing the temperature dependence of the vibrational modes of the hydrogen species will inform us about the evolution of their local coordination environment, and thus help to understand the QENS data. We propose to use the spectrometer LAGRANGE to measure the hydrogen vibrational modes in the range 80-120 meV over the temperature range 0-300 K.
The data is currently only available to download if you are a member of the proposal team.
The recommended format for citing this dataset in a research publication is in the following format:
FINE Lucas and JIMENEZ RUIZ Monica. (2023). Hydride-ion dynamics in the nitride-hydride Ca3CrN3H. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.EASY-1179
This data is not yet public
This data is not yet public
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