Temperature-dependent EXAFS study of the local structure and lattice dynamics in cubic Y₂O₃

Temperature-dependent EXAFS study of the local structure and lattice dynamics in cubic Y₂O₃

The local structure and lattice dynamics in cubic Y2O3 were studied at the Y K-edge by X-ray absorption spectroscopy in the temperature range from 300 to 1273 K. The temperature dependence of the extended X-ray absorption fine structure was successfully interpreted using classical molecular dynamics...

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Bibliographische Detailangaben
Veröffentlicht in:Journal of synchrotron radiation. - 1994. - 23(2016), 2 vom: 01. März, Seite 510-8
1. Verfasser: Jonane, Inga (VerfasserIn)
Weitere Verfasser: Lazdins, Karlis, Timoshenko, Janis, Kuzmin, Alexei, Purans, Juris, Vladimirov, Pavel, Gräning, Tim, Hoffmann, Jan
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2016
Zugriff auf das übergeordnete Werk:Journal of synchrotron radiation
Schlagworte:Journal Article Research Support, Non-U.S. Gov't EXAFS evolutionary algorithm molecular dynamics reverse Monte Carlo yttria
Beschreibung
Zusammenfassung:The local structure and lattice dynamics in cubic Y2O3 were studied at the Y K-edge by X-ray absorption spectroscopy in the temperature range from 300 to 1273 K. The temperature dependence of the extended X-ray absorption fine structure was successfully interpreted using classical molecular dynamics and a novel reverse Monte Carlo method, coupled with the evolutionary algorithm. The obtained results allowed the temperature dependence of the yttria atomic structure to be followed up to ∼6 Å and to validate two force-field models
Beschreibung:Date Completed 24.06.2016
Date Revised 26.02.2016
published: Print-Electronic
Citation Status PubMed-not-MEDLINE
ISSN:1600-5775
DOI:10.1107/S1600577516001181