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

Richard Haworth, Gavin Mountjoy, Marta Corno, Piero Ugliengo, and Robert J. Newport
Phys. Rev. B 81, 060301(R) – Published 22 February 2010

Abstract

The effective vibrational density of states (VDOS) has been derived from inelastic neutron-scattering data, for isotopically substituted SiO182 and SiO162 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 SiO182 and SiO162, 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).

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  • Received 21 January 2010

DOI:https://doi.org/10.1103/PhysRevB.81.060301

©2010 American Physical Society

Authors & Affiliations

Richard Haworth1, Gavin Mountjoy1, Marta Corno2, Piero Ugliengo2, and Robert J. Newport1

  • 1School of Physical Sciences, University of Kent, Canterbury, Kent CT2 7NH, United Kingdom
  • 2Dipartimento di Chimica IFM and Nanostructured Interfaces and Surfaces Centre of Excellence, Università degli Studi di Torino, Via P. Giuria 7, 10125 Torino, Italy

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Issue

Vol. 81, Iss. 6 — 1 February 2010

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