Local order in wüstite using a pair distribution function (PDF) approach
| Autor: | Aidan Heerdegen, Darren Goossens, Thomas Welberry |
|---|---|
| Rok vydání: | 2014 |
| Předmět: |
Chemistry
Superlattice Relaxation (NMR) Pair distribution function 02 engineering and technology engineering.material Paracrystalline 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Crystallography Matrix (mathematics) Order (biology) Geochemistry and Petrology Chemical physics engineering Wüstite 0210 nano-technology Powder diffraction |
| Zdroj: | Mineralogical Magazine. 78:373-385 |
| ISSN: | 1471-8022 0026-461X |
| DOI: | 10.1180/minmag.2014.078.2.10 |
| Popis: | We show how different aspects of a model of the complex disordered structure of wüstite, Fe1−xO, affect the pair distribution function (PDF) and powder diffraction pattern. The aim is to assess the efficacy of using these techniques to determine details of local structure. The different aspects include the nature of the individual defect clusters, the nature of the paracrystalline superlattice on which they are distributed and the ‘size-effect’ relaxation of the basic rocksalt FeO matrix around the defects. The results show that PDF data are sensitive to those aspects of the models that have a significant effect on the populations of interatomic spacings but are less able to determine correlation structures in the samples if these do not have a substantial interaction with interatomic separations. |
| Databáze: | OpenAIRE |
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