@inproceedings{ed390ecfc5684288a8d0494992cd3a02,
title = "Modeling cation distributions of PbZr0.5Ti0.5O 3",
abstract = "We use neutron total scattering measurements with reverse Monte Carlo analysis methods incorporating an atom-swapping algorithm to investigate the short-range Zr/Ti cation ordering at the perovskite crystalloraphic B sites and micro structure within PbZr0.5Ti0.5O3 solid solution at different temperature. Our results show that there is no Zr/Ti ordering at the B sites. TiO6 and ZrO6 units are rotated and distorted. The amplitude of rotations of the TiO6 units is larger than that of the ZrO6 units, accompanied by more distortions of the angles within the TiO6 units.",
keywords = "Cation distributions, Neutron total scattering, Reverse Monte Carlo, Rietveld refinement",
author = "Qun Hui and Matthew Tucker and Zhiqian Chen",
year = "2012",
doi = "10.4028/www.scientific.net/MSF.704-705.455",
language = "English",
isbn = "9783037853061",
series = "Materials Science Forum",
publisher = "Trans Tech Publications Ltd",
pages = "455--461",
editor = "Jitai Niu and Jitai Niu and Guangtao Zhou and Guangtao Zhou",
booktitle = "Physical and Numerical Simulation of Material Processing VI",
note = "6th International Conference on Physical and Numerical Simulation of Materials Processing, ICPNS2010 ; Conference date: 16-11-2010 Through 19-11-2010",
}