Lattice dynamics of α-cristobalite and the Boson peak in silica glass

The lattice dynamics of the silica polymorph -cristobalite has been investigated by a combination of diffuse and inelastic x-ray scattering and ab initio lattice dynamics calculations. Phonon dispersion relations and vibrational density of states are reported and the phonon eigenvectors analyzed by...

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Published inJournal of physics. Condensed matter Vol. 27; no. 30; p. 305401
Main Authors Wehinger, Björn, Bosak, Alexeï, Refson, Keith, Mirone, Alessandro, Chumakov, Aleksandr, Krisch, Michael
Format Journal Article
LanguageEnglish
Published England IOP Publishing 05.08.2015
Subjects
Boson peak
cristobalite
inelastic scattering
lattice dynamics
phonon dispersion
silica glass
silica polymorph
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Summary:The lattice dynamics of the silica polymorph -cristobalite has been investigated by a combination of diffuse and inelastic x-ray scattering and ab initio lattice dynamics calculations. Phonon dispersion relations and vibrational density of states are reported and the phonon eigenvectors analyzed by a detailed comparison of scattering intensities. The experimentally validated calculation is used to identify the vibration contributing most to the first peak in the density of vibrational states. The comparison of its displacement pattern to the silica polymorphs -quartz and coesite and to vitreous silica reveals a distinct similarity and allows for decisive conclusions on the vibrations causing the so-called Boson peak in silica glass.
Bibliography:JPCM-104494
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ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/27/30/305401