http://www.cnr.it/ontology/cnr/individuo/prodotto/ID57481
Lattice dynamics and molecular rotations in solid hydrogen deuteride: Inelastic neutron scattering study (Articolo in rivista)
- Type
- Label
- Lattice dynamics and molecular rotations in solid hydrogen deuteride: Inelastic neutron scattering study (Articolo in rivista) (literal)
- Anno
- 2009-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1103/PhysRevB.79.144307 (literal)
- Alternative label
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- D. Colognesi (1); F. Formisano (2); A. J. Ramirez-Cuesta (3); L. Ulivi (1) (literal)
- Pagina inizio
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- Rivista
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- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- (1) Consiglio Nazionale delle Ricerche, Istituto dei Sistemi Complessi, Sezione di Firenze, via Madonna del Piano 10, 50019 Sesto Fiorentino (FI), Italy
(2) CNR-INFM, CRS SOFT, Rome, Italy and OGG, Grenoble, France, c/o ILL, 6 rue Jules Horowitz, B.P. 220, F-38042 Grenoble Cedex 9, France
(3) ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX, United Kingdom (literal)
- Titolo
- Lattice dynamics and molecular rotations in solid hydrogen deuteride: Inelastic neutron scattering study (literal)
- Abstract
- In the present paper we report inelastic neutron scattering measurements on solid low-pressure hydrogen
deuteride at three different temperatures (between 4.5 and 15.6 K) using the time-of-flight spectrometers
BRISP at ILL (France) and TOSCA-II at ISIS, RAL (UK). The measured double-differential cross sections
give access to the proton component of the HD self-inelastic structure factor. Processed BRISP data were
employed to verify the applicability of the generalized Young and Koppel model to solid HD in our kinematic
range and to obtain the mean-square displacement of the molecular centers of mass. In addition, a large
broadening of the first two rotational peaks was observed. A reasonable result for the density of phonon states
from TOSCA-II data has been obtained, although a rigorous extraction was not possible, due to the overlap
among the various spectral components. The intensity loss in the extracted density of phonon states was
interpreted as the effect the phonon-roton resonance in solid hydrogen deuteride. Finally the two Bose-corrected
moments of the HD phonon spectrum, related to the molecular mean-square displacement and mean
kinetic energy, were simulated through a path integral Monte Carlo code. The former quantity was compared
to the mentioned experimental estimates. (literal)
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