X-ray diffraction, neutron scattering and EXAFS spectroscopy of monoclinic zirconia: analysis by Rietveld refinement and reverse Monte Carlo simulations
作者： Markus Winterer , Robert Delaplane , Robert McGreevy
DOI: 10.1107/S0021889802006829
关键词:
摘要: Extended X-ray absorption fine structure (EXAFS) and neutron scattering data from monoclinic zirconia are analysed independently simultaneously by reverse Monte Carlo (RMC) modelling. powder diffraction Rietveld refinement. The results compared with respect to the local around zirconium cations. Monoclinic was chosen as a model system for comparison of structural information obtained EXAFS spectroscopy methods because it is crystalline but also has some disorder. In case zirconia, analysis spectra RMC modelling in reliable accurate on structure, consistent experiments.
crystallography.net参考文章(16)
Junya Kondoh, Shiomi Kikuchi, Yoichi Tomii, Yasuhiko Ito, Effect of Aging on Yttria‐Stabilized Zirconia III. A Study of the Effect of Local Structures on Conductivity Journal of The Electrochemical Society. ,vol. 145, pp. 1550- 1560 ,(1998) , 10.1149/1.1838517
Ping Li, I-Wei Chen, James E. Penner-Hahn, X-ray-absorption studies of zirconia polymorphs. III. Static distortion and thermal distortion. Physical Review B. ,vol. 48, pp. 10082- 10089 ,(1993) , 10.1103/PHYSREVB.48.10082
J. C. Mikkelsen, J. B. Boyce, Atomic-Scale Structure of Random Solid Solutions: Extended X-Ray-Absorption Fine-Structure Study of Ga 1 − x In x As Physical Review Letters. ,vol. 49, pp. 1412- 1415 ,(1982) , 10.1103/PHYSREVLETT.49.1412
M. Gutmann, S. J. L. Billinge, E. L. Brosha, G. H. Kwei, Possible charge inhomogeneities in the CuO 2 planes of YBa 2 Cu 3 O 6+x (x=0.25,0.45,0.65,0.94) from pulsed neutron diffraction Physical Review B. ,vol. 61, pp. 11762- 11768 ,(2000) , 10.1103/PHYSREVB.61.11762
Ping Li, I-Wei Chen, James E. Penner-Hahn, X-ray-absorption studies of zirconia polymorphs. I. Characteristic local structures. Physical Review B. ,vol. 48, pp. 10063- 10073 ,(1993) , 10.1103/PHYSREVB.48.10063
S. I. Zabinsky, J. J. Rehr, A. Ankudinov, R. C. Albers, M. J. Eller, Multiple-scattering calculations of x-ray-absorption spectra Physical Review B. ,vol. 52, pp. 2995- 3009 ,(1995) , 10.1103/PHYSREVB.52.2995
Ping Li, I-Wei Chen, James E. Penner-Hahn, X-ray-absorption studies of zirconia polymorphs. II. Effect of Y2O3 dopant on ZrO2 structure. Physical Review B. ,vol. 48, pp. 10074- 10081 ,(1993) , 10.1103/PHYSREVB.48.10074
Markus Winterer, Reverse Monte Carlo analysis of extended x-ray absorption fine structure spectra of monoclinic and amorphous zirconia Journal of Applied Physics. ,vol. 88, pp. 5635- 5644 ,(2000) , 10.1063/1.1319167
J. M. Leger, P. E. Tomaszewski, A. Atouf, A. S. Pereira, Pressure-induced structural phase transitions in zirconia under high pressure. Physical Review B. ,vol. 47, pp. 14075- 14083 ,(1993) , 10.1103/PHYSREVB.47.14075
P. A. Lee, P. H. Citrin, P. Eisenberger, B. M. Kincaid, Extended x-ray absorption fine structure—its strengths and limitations as a structural tool Reviews of Modern Physics. ,vol. 53, pp. 769- 806 ,(1981) , 10.1103/REVMODPHYS.53.769