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An analytical solution for the zero frequency hyperbolic RUM modes of distortion of SiO2-tridymite

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dc.contributor.authorWithers, Raymond
dc.date.accessioned2015-12-13T23:11:57Z
dc.date.available2015-12-13T23:11:57Z
dc.date.issued2003
dc.date.updated2015-12-12T08:29:48Z
dc.description.abstractThe constraint equations controlling the existence of soft, Rigid Unit Mode (RUM) modes of distortion of the ideal tridymite tetrahedral framework structure are derived and used to obtain an analytical solution for the potential soft phonon mode wave-vectors and their associated displacement patterns. One of two types of RUM known to exist are characterized by modulation wave-vectors perpendicular to 〈110〉 and atomic displacement patterns involving tetrahedral edge rotation while a second type of RUM is found to be soft on a hyperbolic reciprocal space distribution and to involve tetrahedral rotation about in-plane rotation axes. The analytical form of this hyperbolic diffuse distribution is derived as is an analytical expression for the associated RUM eigenvector of each point on the diffuse distribution.
dc.identifier.issn1293-2558
dc.identifier.urihttp://hdl.handle.net/1885/87825
dc.publisherElsevier
dc.sourceSolid State Sciences
dc.subjectKeywords: Eigenvalues and eigenfunctions; Mathematical models; Structure (composition); Rigid unit mode (RUM); Silica; silicon dioxide; article; calculation; chaotic dynamics; chemical structure; mathematical analysis; phase transition; rotation; structure analysis Correlated tetrahedral rotation; Dynamical disorder; Hyperbolic diffuse distribution; Phase transition; Tridymite
dc.titleAn analytical solution for the zero frequency hyperbolic RUM modes of distortion of SiO2-tridymite
dc.typeJournal article
local.bibliographicCitation.issue1
local.bibliographicCitation.lastpage123
local.bibliographicCitation.startpage115
local.contributor.affiliationWithers, Raymond, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidWithers, Raymond, u8600734
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.absfor030206 - Solid State Chemistry
local.identifier.absfor020406 - Surfaces and Structural Properties of Condensed Matter
local.identifier.absseo970103 - Expanding Knowledge in the Chemical Sciences
local.identifier.ariespublicationMigratedxPub17282
local.identifier.citationvolume5
local.identifier.doi10.1016/S1293-2558(02)00085-7
local.identifier.scopusID2-s2.0-0037277934
local.type.statusPublished Version

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