Order and disorder in solid oxygen: Neutron scattering investigations

doi:https://doi.org/10.1063/10.0033937

Order and disorder in solid oxygen: Neutron scattering investigations

F. Dunstetter,Olivier Hardouin Duparc,V.P. Plakhty,J. Schweizer,A. Delapalme-1996-02-01-Low Temperature Physics

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TL;DRAbstract

Solid oxygen exists at zero pressure in three crystallographic phases, denoted α, β, γ. Various results have been obtained by neutron scattering in the two disordered β and γ phases. Plastic γ–O2 has an Al5 structure with 8 molecules per unit cell. The molecules, located at 2a and 6c sites, exhibit two different types of disorder of molecular axes: a spherical-like disorder for the 6c molecules, and a disk-like disorder for the 6c molecules. A precise diffraction analysis on large single crystals shows that the disorder of molecular axis of the molecules can be interpreted in terms of localized forbidden orientations, or orientational holes, with a wide disorder among the other orientations. An important contribution of the translation-rotation coupling must be taken into account for the 6c molecules. Analysis of diffuse scattering by both an approximate analytical model and molecular dynamics simulation shows an important contribution to the orientational correlations between 6c-6c an

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Solid oxygen exists at zero pressure in three crystallographic phases, denoted α, β, γ. Various results have been obtained by neutron scattering in the two disordered β and γ phases. Plastic γ–O2 has an Al5 structure with 8 molecules per unit cell. The molecules, located at 2a and 6c sites, exhibit two different types of disorder of molecular axes: a spherical-like disorder for the 6c molecules, and a disk-like disorder for the 6c molecules. A precise diffraction analysis on large single crystals shows that the disorder of molecular axis of the molecules can be interpreted in terms of localized forbidden orientations, or orientational holes, with a wide disorder among the other orientations. An important contribution of the translation-rotation coupling must be taken into account for the 6c molecules. Analysis of diffuse scattering by both an approximate analytical model and molecular dynamics simulation shows an important contribution to the orientational correlations between 6c-6c an

Keywords

Neutron scatteringOxygenMaterials scienceOrder (exchange)Small-angle neutron scatteringNeutron diffractionScatteringNeutron

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