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dc.contributor.author
Auffermann, G.  
dc.contributor.author
Barrera, Gustavo Daniel  
dc.contributor.author
Colognesi, D.  
dc.contributor.author
Corradi, G.  
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Ramirez Cuesta, A. J.  
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Zoppi, M.  
dc.date.available
2020-05-12T20:15:33Z  
dc.date.issued
2004-08  
dc.identifier.citation
Auffermann, G.; Barrera, Gustavo Daniel; Colognesi, D.; Corradi, G.; Ramirez Cuesta, A. J.; et al.; Hydrogen dynamics in heavy alkali metal hydrides obtained through inelastic neutron scattering; IOP Publishing; Journal of Physics: Condensed Matter; 16; 32; 8-2004; 5731-5743  
dc.identifier.issn
0953-8984  
dc.identifier.uri
http://hdl.handle.net/11336/104964  
dc.description.abstract
Inelastic neutron scattering spectra from polycrystalline NaH, KH, RbH and CsH, measured at low temperature in the energy transfer range 3 meV < E < 500 meV, are reported. From the medium-energy regions, coinciding with the optical phonon bands, accurate hydrogen-projected densities of phonon states are extracted and compared to ab initio lattice dynamics results. The overall agreement is very good. Further lattice dynamics calculations, based on a pairwise Born–Mayer semi-empirical potential scheme, were also performed, providing only limited and qualitative agreement with the experimental data. In conclusion, incoherent inelastic neutron spectroscopy proves to be a stringent validation tool for lattice dynamics simulations of H-containing materials.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
IOP Publishing  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
inhydrides  
dc.subject
Hydrogen  
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dynamics  
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inelastic neutron scattering  
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heavy alkali metal  
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica  
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Ciencias Químicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Hydrogen dynamics in heavy alkali metal hydrides obtained through inelastic neutron scattering  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2020-04-27T14:44:28Z  
dc.journal.volume
16  
dc.journal.number
32  
dc.journal.pagination
5731-5743  
dc.journal.pais
Reino Unido  
dc.journal.ciudad
Londres  
dc.description.fil
Fil: Auffermann, G.. Max Planck Institut fur Chemische Physik fester Stoffe; Alemania  
dc.description.fil
Fil: Barrera, Gustavo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de la Patagonia "San Juan Bosco". Facultad de Ciencias Naturales - Sede Comodoro. Departamento de Química; Argentina  
dc.description.fil
Fil: Colognesi, D.. Istituto di Fisica Applicata ‘Nello Carrara’. Consiglio Nazionale delle Ricerche; Italia  
dc.description.fil
Fil: Corradi, G.. Istituto di Fisica Applicata ‘Nello Carrara’. Consiglio Nazionale delle Ricerche; Italia  
dc.description.fil
Fil: Ramirez Cuesta, A. J.. Rutherford Appleton Laboratory; Reino Unido  
dc.description.fil
Fil: Zoppi, M.. Istituto di Fisica Applicata ‘Nello Carrara’. Consiglio Nazionale delle Ricerche; Italia  
dc.journal.title
Journal of Physics: Condensed Matter  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1088/0953-8984/16/32/010  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://iopscience.iop.org/article/10.1088/0953-8984/16/32/010