Diffuse neutron scattering study of the short-range order in VD0.781

Pionke, M.; Schweika, W.; Springer, T.; Hohlwein, D.; Sonntag, R.

doi:10.1016/0921-4526(95)00213-s

Cited by 4 publications

(2 citation statements)

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“…Moreover, it is easy to prepare in a pure form as powder or, unlike most other metallic hydrides, as single crystals. The latter point implies that its short-range order was already investigated by single crystal diffuse scattering measurements [40][41][42].…”

Section: Investigations Of Metal Hydrides Crystalline Metal Hydridesmentioning

confidence: 97%

“…Thus, simultaneous occupation of neighbouring sites would be a severe violation of the Switendick criterion. However, earlier investigations using total neutron scattering and "short-range order (SRO) parameters", indicate a nearly complete blocking of interstices that are closer than 2 A from any occupied deuterium site [40,41,46,47]. The SRO parameters represent the probability of occupation of different coordination spheres, and are used to make analytical expressions for the diffuse intensity.…”

Section: Investigations Of Metal Hydrides Crystalline Metal Hydridesmentioning

confidence: 98%

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Pair Distribution Functions and Reverse Monte Carlo modelling of disordered metal hydrides

Sørby¹

2008

Zeitschrift Für Kristallographie

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Total X-ray and neutron scattering experiments aim to measure both diffuse scattering and, in the case of crystalline samples, Bragg scattering on an absolute scale. The total scattering data can be transformed to the Pair Distribution Function (PDF) which shows shortrange correlations between the atoms. Reverse Monte Carlo (RMC) modelling is a technique to make three-dimensional model of the atomic arrangements from total scattering data or PDFs. These models are not constrained by space group symmetry, and can give structural insight that is not available from the time-and space averaged models obtained from Bragg scattering alone.RMC modelling has been used to investigate the shortrange structure correlations of the disordered crystalline metal deuterides a-VD 0:8 , b-VD 0:5 and ZrCr 2 D 4 . It was found that the local structures are similar to those found in corresponding ordered low-temperature phases at length scales up to 3-4 A and that abnormally short D--D separations do not occur despite very short separation between possible D sites. For amorphous metal hydrides, RMC modelling shows that the local atomic configurations can differ substantially from those found in the corresponding crystalline phases.

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Section: Investigations Of Metal Hydrides Crystalline Metal Hydridesmentioning

confidence: 97%