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Probing vibrational modes in silica glass using inelastic neutron scattering with mass contrast

Haworth, R., Mountjoy, Gavin, Corno, M., Ugliengo, P., Newport, Robert J. (2010) Probing vibrational modes in silica glass using inelastic neutron scattering with mass contrast. Physical Review B - Condensed Matter and Materials Physics, 81 (6). 060301-060301. ISSN 1098-0121. (doi:10.1103/PhysRevB.81.060301) (KAR id:46599)


The effective vibrational density of states (VDOS) has been derived from inelastic neutron-scattering data, for isotopically substituted Si O 18 2 and Si O 16 2 glasses, to gain information about the relative contribution to the Si and O partial VDOS. This is a necessary point of comparison for vibrational mode analyses of molecular-dynamics models. The mass contrast has led to a measurable shift between vibrational mode frequencies in the effective VDOS of Si O 18 2 and Si O 16 2, which is well reproduced in an ab initio simulation. The vibrational band centered at 100.2 meV is confirmed to have significantly lower contribution from the oxygen partial VDOS, than the higher (150.3 and 135.8 meV) and lower energy bands (53.3 meV).

Item Type: Article
DOI/Identification number: 10.1103/PhysRevB.81.060301
Additional information: Unmapped bibliographic data: C7 - 060301 [EPrints field already has value set] LA - English [Field not mapped to EPrints] J2 - Phys. Rev. B Condens. Matter Mater. Phys. [Field not mapped to EPrints] AD - School of Physical Sciences, University of Kent, Canterbury, Kent CT2 7NH, United Kingdom [Field not mapped to EPrints] AD - Dipartimento di Chimica IFM, Nanostructured Interfaces and Surfaces Centre of Excellence, Università Degli Studi di Torino, Via P. Giuria 7, 10125 Torino, Italy [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Subjects: Q Science > QC Physics > QC176 Solid state physics
Q Science > QC Physics
Divisions: Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User: Giles Tarver
Date Deposited: 16 Jan 2015 09:44 UTC
Last Modified: 16 Nov 2021 10:18 UTC
Resource URI: (The current URI for this page, for reference purposes)

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