title: Anomalous dispersion X-ray diffraction study of Pb/Bi ordering/disordering states in PbTiO3-based perovskite oxides.
abstract: Synchrotron radiation-based anomalous dispersion X-ray powder diffraction (ADSPD) was carried out to reveal the Pb/Bi ordering/disordering states in a series of PbTiO3-based negative thermal expansion materials (1 - x)PbTiO3- xBiFeO3(x = 0.1, 0.3, 0.5) and (1 - x)PbTiO3- xBi(Zn1/2Ti1/2)O3(x = 0.1, 0.2, 0.3). It gives strong evidence of the disordered Pb/Bi distributions in these compositions, which is consistent with electron diffraction studies. Combined with binding energy calculation, we show that the disordered nature of Pb/Bi distributions is likely to be attributed to the similar electron configurations of Pb2+and Bi3+as well as their comparable coordinate environments in perovskite structures. The results of this study may be helpful to better understand the structure-property relationship in Pb/Bi-containing perovskites and are useful for further developing underlying physics in relevant materials.
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China. xing@ustb.edu.cn.
authors.forename: Kun
authors.initials: K
authors.lastname: Lin
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China. xing@ustb.edu.cn.
authors.forename: Na
authors.initials: N
authors.lastname: Wang
authors.affiliation: State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083, China.
authors.forename: Li
authors.initials: L
authors.lastname: You
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China. xing@ustb.edu.cn.
authors.forename: Qiang
authors.initials: Q
authors.lastname: Li
authors.affiliation: RIKEN SPring-8 Center, Hyogo 679-5148, Japan.
authors.forename: Kenichi
authors.initials: K
authors.lastname: Kato
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China. xing@ustb.edu.cn.
authors.forename: Jun
authors.initials: J
authors.lastname: Chen
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China. xing@ustb.edu.cn.
authors.forename: Jinxia
authors.initials: J
authors.lastname: Deng
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China. xing@ustb.edu.cn.
authors.forename: Xianran
authors.identifier: http://orcid.org/0000-0002-1244-9353
authors.initials: X
authors.lastname: Xing