Thermal vibrations in PbZrO3 single crystals

Authors
Kwapulinski, J Kusz, J Bohm, H Dec, J
Citation
J. Kwapulinski et al., Thermal vibrations in PbZrO3 single crystals, J PHYS-COND, 13(7), 2001, pp. 1461-1466
Citations number
22
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN journal
09538984 → ACNP
Volume
13
Issue
7
Year of publication
2001
Pages
1461 - 1466
Database
ISI
SICI code
0953-8984(20010219)13:7<1461:TVIPSC>2.0.ZU;2-V
Abstract
The structure refinement from x-ray diffraction data of PbZrO3 single cryst als revealed that the parameters of the mean thermal displacements for Pb i ons in the high-temperature paraelectric phase (SG Pm3m) showed unrealistic ally large values. Therefore models with displacements of Pb ions in severa l relevant directions were tested. A shift in the [100] direction yielded b oth the lowest R-value and the most sensible mean thermal displacement.