Optical vibrations of hydrogen in some rare-earth monohalide hydrides
R K Kremer; J K Cockcroft; H Mattausch; A Simon; G J Kearley; R K Kremer; MPI fur Festkorperforschung, Stuttgart, Germany; J K Cockcroft; MPI fur Festkorperforschung, Stuttgart, Germany; H Mattausch; MPI fur Festkorperforschung, Stuttgart, Germany; A Simon; MPI fur Festkorperforschung, Stuttgart, Germany; G J Kearley; MPI fur Festkorperforschung, Stuttgart, Germany
Журнал:
Journal of Physics: Condensed Matter
Дата:
1994-05-30
Аннотация:
We report an investigation of the local modes of hydrogen and deuterium atoms by means of inelastic neutron scattering at 10 K and 100 K in some hydride and deuteride monohalides of the rare-earth elements, REXH<sub>x</sub>, with RE=Y and Tb, X=Cl and Br and x approximately=0.8. These compounds contain hydrogen/deuterium atoms in distorted tetrahedral metal-atom voids. The hydride spectra exhibit two modes centred at about 125 meV and 90 meV for YBrD<sub>x</sub>. For the deuterium compounds YBrD<sub>x</sub> (x approximately=0.8) second-harmonic transitions are observed. The energy splitting of the two modes is of the order of 6-10 meV. The low-energy mode is about twice as intense as the high-energy mode. The splitting of the modes is consistent with local C<sub>3v</sub> symmetry and analysed in terms of a model suggested recently by Bennington et al. Broadenings of the modes are observed and attributed to a weak splitting of the doubly degenerate low-energy mode due to a reduction of local symmetry. To relate the spectra to crystallographic properties a powder neutron-diffraction experiment and a refinement of the crystal structure of YBrD<sub>0.79</sub> have also been performed.
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