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Lattice dynamics of α- and β-cristobalite, SiO2

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Date

1989

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Abstract

A Born-von Karman force-model for α- and β-cristobalite, SiO2, involving nearest-neighbour interactions for Si-O, O-O and SiSi, has been derived by fitting the (q = 0) results of lattice dynamical calculations to observed spectral data. The force constants derived are very similar to one set of parameters previously derived for quartz which include a Si-Si interaction. Omission of this interaction led to substantially worse fits to the observations. The results are compared with those obtained for a valence-force type of description previously reported. Phonon dispersion curves and density of states plots are presented for the first time.

Description

Keywords

Born-von Karman, cristobalite, dispersion relations, Lattic dynamics, phonon density of states

Citation

URI

https://dspace-test.anu.edu.au/handle/1885/733746977

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DevOps Pure Testing

Source

Journal of Physics and Chemistry of Solids

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Article

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DOI

10.1016/0022-3697(89)90419-8

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