The atomic structure of lead-free Ba(Zr0.2Ti0.8)O3-(Ba0.7Ca0.3)TiO3 by using neutron total scattering analysis

被引：29

作者：

Jeong, I. -K. ^{[1
,2
]}

Ahn, J. S. ^{[3
]}

机构：

[1] Pusan Natl Univ, Dept Phys Educ, Pusan 609735, South Korea

[2] Pusan Natl Univ, Res Ctr Dielectr & Adv Matter Phys, Pusan 609735, South Korea

[3] Pusan Natl Univ, Dept Phys, Pusan 609735, South Korea

来源：

APPLIED PHYSICS LETTERS | 2012年 / 101卷 / 24期

基金：

新加坡国家研究基金会;

关键词：

LOCAL-STRUCTURE; POLARIZATION ROTATION; PHASE-TRANSITIONS; BATIO3;

D O I：

10.1063/1.4770297

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We conducted neutron total scattering measurements on lead-free Ba(Zr0.2Ti0.8)O-3-0.5 (Ba0.7Ca0.3)TiO3 (BZT-0.5BCT) ceramic at 300 K and 150 K, and studied both long-range and local structures near the morphotropic phase boundary. Despite the long-range phase transition from tetragonal to rhombohedral structures, we found that local atomic structure of BZT-0.5BCT barely changes between 300 K and 150 K. To incorporate both long-range and local structures in a consistent way, we performed reverse Monte Carlo modeling. In BZT-0.5BCT, we found that the Ca substitution on Ba sites causes little impact on the local displacement of Ti ion but enhances octahedral tilting of ZrO6, resulting in nonuniform lattice distortion. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4770297]

引用

页数：5

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