ABSTRACT Non-centrosymmetric to centrosymmetric structural transformation of BaZrxTi1−xO3 (x = 0, 0.05, 0.1, 0.3) as prepared by soilid state reaction was investigated from X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), pair distribution function (PDF) and Raman spectra. Tetragonal BaTiO3 transformed to orthorhombic phase for lower Zr concentration (x = 0.05) and changed to tetragonal to cubic with increasing Zr concentration at room temperature. Dielectric constant changed with the addition of Zr due to the change in local atomic arrangement and achieved highest value 1444 for mole fraction x = 0.1. Change occurred in the intensity for the first Ti–O pair in the PDF pattern due to the incorporation Zr in barium titanate lattice. An extra shoulder due to addition of Zr for the cubic phase of BZT has appeared at 5.64 Å in the PDF pattern. Structural and electrical properties of BZT were influenced by additions of Zr due to the change in local atomic arrangement.

中文翻译：

---

Zr掺杂钛酸钡非中心对称向中心对称结构转变的研究

摘要从 X 射线衍射 (XRD)、X 射线光电子能谱 (XPS)、对通过固态反应制备的 BaZrxTi1−xO3 (x = 0, 0.05, 0.1, 0.3) 的非中心对称到中心对称结构转变进行了研究。分布函数 (PDF) 和拉曼光谱。在室温下，随着 Zr 浓度的增加，四方 BaTiO3 转变为斜方晶相以降低 Zr 浓度 (x = 0.05) 并转变为四方到立方相。由于局部原子排列的变化，介电常数随着 Zr 的加入而变化，并在摩尔分数 x = 0.1 时达到最高值 1444。由于钛酸钡晶格中掺入 Zr，PDF 图案中第一个 Ti-O 对的强度发生了变化。由于为 BZT 的立方相添加 Zr，在 5 处出现了额外的肩峰。PDF 模式中的 64 Å。由于局部原子排列的变化，BZT 的结构和电学性质受到 Zr 添加的影响。