6533b7defe1ef96bd1276671
RESEARCH PRODUCT
Temperature-dependent EXAFS study of the local structure and lattice dynamics in cubic Y2O3
Tim GräningInga JonaneJuris PuransAlexei KuzminPavel VladimirovKarlis LazdinsJanis TimoshenkoJan Hoffmannsubject
Lattice dynamicsNuclear and High Energy PhysicsRadiationMaterials scienceAbsorption spectroscopyExtended X-ray absorption fine structure02 engineering and technologyReverse Monte CarloAtmospheric temperature range021001 nanoscience & nanotechnology01 natural sciencesMolecular physicsMolecular dynamics0103 physical sciences010306 general physics0210 nano-technologyAbsorption (electromagnetic radiation)InstrumentationYttria-stabilized zirconiadescription
The local structure and lattice dynamics in cubic Y2O3were studied at the YK-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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2016-02-17 | Journal of Synchrotron Radiation |