Scattering intensities and model partial structure factors in vitreous silica and amorphous silicon

Stenhouse, Bryn John; Grout, P. J.; March, N. H.

doi:10.1016/0375-9601(76)90470-9

Cited by 6 publications

(2 citation statements)

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“…As stressed in Sec. 1, the immediate motivation was afforded by the recent theoretical work of Saito and Ono [2] on three different crystal structures of SiO 2 under pressure (see also our own early study on diffraction from vitreous silica in [1]). It is to be hoped that our present results will stimulate experimental studies on the free-space clusters SiO n for small n, and possibly also on the comparison between the electron density distribution in crystalline SiO 2 under pressure with vitreous SiO 2 , also under compression.…”

Section: Discussionmentioning

confidence: 99%

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Neutral and cationic free-space oxygen-silicon clusters SiOn (1 < n <= 6), and possible relevance to crystals of SiO2 under pressure

Forte,

Angilella,

Pittalà

et al. 2011

Preprint

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Motivated by the theoretical study of Saito and Ono (2011) on three crystalline forms of SiO 2 under pressure, quantum-chemical calculations on various free-space clusters of SiO n and GeO n for 1 < n ≤ 6 are reported here. Both neutral and cationic clusters have been examined, for both geometry and equilibrium bond lengths. Coupled clusters and correlation-corrected MP2 calculations are presented. For the cations, we emphasize especially the structural distortions occurring in removing degeneracies.

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Section: Discussionmentioning

confidence: 99%

“…The background to the present study is to be found in the theoretical work of Stenhouse et al in this Journal [1]. This dealt with scattering intensities and partial structure factors in vitreous silica, both X-ray and neutron diffraction experiments being invoked.…”

Section: Introductionmentioning

confidence: 99%